data_17804 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 15N and 13C backbone resonance assignments of alpha1-antitrypsin ; _BMRB_accession_number 17804 _BMRB_flat_file_name bmr17804.str _Entry_type original _Submission_date 2011-07-25 _Accession_date 2011-07-25 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Nyon 'Mun Peak' . . 2 Kirkpatrick John . . 3 Cabrita Lisa D. . 4 Christodoulou John . . 5 Gooptu Bibek . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 2 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 616 "13C chemical shifts" 1287 "15N chemical shifts" 616 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2013-01-17 update BMRB 'update entry citation' 2011-11-30 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title '1H, 15N and 13C backbone resonance assignments of the archetypal serpin 1-antitrypsin.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 22109101 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Nyon 'Mun Peak' . . 2 Kirkpatrick John . . 3 Cabrita Lisa D. . 4 Christodoulou John . . 5 Gooptu Bibek . . stop_ _Journal_abbreviation 'Biomol. NMR Assignments' _Journal_name_full 'Biomolecular NMR assignments' _Journal_volume 6 _Journal_issue 2 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 153 _Page_last 156 _Year 2012 _Details . loop_ _Keyword antitrypsin assignment refolding serpin stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name AAT _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label AAT $AAT stop_ _System_molecular_weight 45550.8 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_AAT _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common AAT _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 404 _Mol_residue_sequence ; MRGSHHHHHHTDPQGDAAQK TDTSHHDQDHPTFNKITPNL AEFAFSLYRQLAHQSNSTNI FFSPVSIATAFAMLSLGTKA DTHDEILEGLNFNLTEIPEA QIHEGFQELLRTLNQPDSQL QLTTGNGLFLSEGLKLVDKF LEDVKKLYHSEAFTVNFGDT EEAKKQINDYVEKGTQGKIV DLVKELDRDTVFALVNYIFF KGKWERPFEVKDTEEEDFHV DQVTTVKVPMMKRLGMFNIQ HCKKLSSWVLLMKYLGNATA IFFLPDEGKLQHLENELTHD IITKFLENEDRRSASLHLPK LSITGTYDLKSVLGQLGITK VFSNGADLSGVTEEAPLKLS KAVHKAVLTIDEKGTEAAGA MFLEAIPMSIPPEVKFNKPF VFLMIEQNTKSPLFMGKVVN PTQK ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 -9 MET 2 -8 ARG 3 -7 GLY 4 -6 SER 5 -5 HIS 6 -4 HIS 7 -3 HIS 8 -2 HIS 9 -1 HIS 10 0 HIS 11 1 THR 12 2 ASP 13 3 PRO 14 4 GLN 15 5 GLY 16 6 ASP 17 7 ALA 18 8 ALA 19 9 GLN 20 10 LYS 21 11 THR 22 12 ASP 23 13 THR 24 14 SER 25 15 HIS 26 16 HIS 27 17 ASP 28 18 GLN 29 19 ASP 30 20 HIS 31 21 PRO 32 22 THR 33 23 PHE 34 24 ASN 35 25 LYS 36 26 ILE 37 27 THR 38 28 PRO 39 29 ASN 40 30 LEU 41 31 ALA 42 32 GLU 43 33 PHE 44 34 ALA 45 35 PHE 46 36 SER 47 37 LEU 48 38 TYR 49 39 ARG 50 40 GLN 51 41 LEU 52 42 ALA 53 43 HIS 54 44 GLN 55 45 SER 56 46 ASN 57 47 SER 58 48 THR 59 49 ASN 60 50 ILE 61 51 PHE 62 52 PHE 63 53 SER 64 54 PRO 65 55 VAL 66 56 SER 67 57 ILE 68 58 ALA 69 59 THR 70 60 ALA 71 61 PHE 72 62 ALA 73 63 MET 74 64 LEU 75 65 SER 76 66 LEU 77 67 GLY 78 68 THR 79 69 LYS 80 70 ALA 81 71 ASP 82 72 THR 83 73 HIS 84 74 ASP 85 75 GLU 86 76 ILE 87 77 LEU 88 78 GLU 89 79 GLY 90 80 LEU 91 81 ASN 92 82 PHE 93 83 ASN 94 84 LEU 95 85 THR 96 86 GLU 97 87 ILE 98 88 PRO 99 89 GLU 100 90 ALA 101 91 GLN 102 92 ILE 103 93 HIS 104 94 GLU 105 95 GLY 106 96 PHE 107 97 GLN 108 98 GLU 109 99 LEU 110 100 LEU 111 101 ARG 112 102 THR 113 103 LEU 114 104 ASN 115 105 GLN 116 106 PRO 117 107 ASP 118 108 SER 119 109 GLN 120 110 LEU 121 111 GLN 122 112 LEU 123 113 THR 124 114 THR 125 115 GLY 126 116 ASN 127 117 GLY 128 118 LEU 129 119 PHE 130 120 LEU 131 121 SER 132 122 GLU 133 123 GLY 134 124 LEU 135 125 LYS 136 126 LEU 137 127 VAL 138 128 ASP 139 129 LYS 140 130 PHE 141 131 LEU 142 132 GLU 143 133 ASP 144 134 VAL 145 135 LYS 146 136 LYS 147 137 LEU 148 138 TYR 149 139 HIS 150 140 SER 151 141 GLU 152 142 ALA 153 143 PHE 154 144 THR 155 145 VAL 156 146 ASN 157 147 PHE 158 148 GLY 159 149 ASP 160 150 THR 161 151 GLU 162 152 GLU 163 153 ALA 164 154 LYS 165 155 LYS 166 156 GLN 167 157 ILE 168 158 ASN 169 159 ASP 170 160 TYR 171 161 VAL 172 162 GLU 173 163 LYS 174 164 GLY 175 165 THR 176 166 GLN 177 167 GLY 178 168 LYS 179 169 ILE 180 170 VAL 181 171 ASP 182 172 LEU 183 173 VAL 184 174 LYS 185 175 GLU 186 176 LEU 187 177 ASP 188 178 ARG 189 179 ASP 190 180 THR 191 181 VAL 192 182 PHE 193 183 ALA 194 184 LEU 195 185 VAL 196 186 ASN 197 187 TYR 198 188 ILE 199 189 PHE 200 190 PHE 201 191 LYS 202 192 GLY 203 193 LYS 204 194 TRP 205 195 GLU 206 196 ARG 207 197 PRO 208 198 PHE 209 199 GLU 210 200 VAL 211 201 LYS 212 202 ASP 213 203 THR 214 204 GLU 215 205 GLU 216 206 GLU 217 207 ASP 218 208 PHE 219 209 HIS 220 210 VAL 221 211 ASP 222 212 GLN 223 213 VAL 224 214 THR 225 215 THR 226 216 VAL 227 217 LYS 228 218 VAL 229 219 PRO 230 220 MET 231 221 MET 232 222 LYS 233 223 ARG 234 224 LEU 235 225 GLY 236 226 MET 237 227 PHE 238 228 ASN 239 229 ILE 240 230 GLN 241 231 HIS 242 232 CYS 243 233 LYS 244 234 LYS 245 235 LEU 246 236 SER 247 237 SER 248 238 TRP 249 239 VAL 250 240 LEU 251 241 LEU 252 242 MET 253 243 LYS 254 244 TYR 255 245 LEU 256 246 GLY 257 247 ASN 258 248 ALA 259 249 THR 260 250 ALA 261 251 ILE 262 252 PHE 263 253 PHE 264 254 LEU 265 255 PRO 266 256 ASP 267 257 GLU 268 258 GLY 269 259 LYS 270 260 LEU 271 261 GLN 272 262 HIS 273 263 LEU 274 264 GLU 275 265 ASN 276 266 GLU 277 267 LEU 278 268 THR 279 269 HIS 280 270 ASP 281 271 ILE 282 272 ILE 283 273 THR 284 274 LYS 285 275 PHE 286 276 LEU 287 277 GLU 288 278 ASN 289 279 GLU 290 280 ASP 291 281 ARG 292 282 ARG 293 283 SER 294 284 ALA 295 285 SER 296 286 LEU 297 287 HIS 298 288 LEU 299 289 PRO 300 290 LYS 301 291 LEU 302 292 SER 303 293 ILE 304 294 THR 305 295 GLY 306 296 THR 307 297 TYR 308 298 ASP 309 299 LEU 310 300 LYS 311 301 SER 312 302 VAL 313 303 LEU 314 304 GLY 315 305 GLN 316 306 LEU 317 307 GLY 318 308 ILE 319 309 THR 320 310 LYS 321 311 VAL 322 312 PHE 323 313 SER 324 314 ASN 325 315 GLY 326 316 ALA 327 317 ASP 328 318 LEU 329 319 SER 330 320 GLY 331 321 VAL 332 322 THR 333 323 GLU 334 324 GLU 335 325 ALA 336 326 PRO 337 327 LEU 338 328 LYS 339 329 LEU 340 330 SER 341 331 LYS 342 332 ALA 343 333 VAL 344 334 HIS 345 335 LYS 346 336 ALA 347 337 VAL 348 338 LEU 349 339 THR 350 340 ILE 351 341 ASP 352 342 GLU 353 343 LYS 354 344 GLY 355 345 THR 356 346 GLU 357 347 ALA 358 348 ALA 359 349 GLY 360 350 ALA 361 351 MET 362 352 PHE 363 353 LEU 364 354 GLU 365 355 ALA 366 356 ILE 367 357 PRO 368 358 MET 369 359 SER 370 360 ILE 371 361 PRO 372 362 PRO 373 363 GLU 374 364 VAL 375 365 LYS 376 366 PHE 377 367 ASN 378 368 LYS 379 369 PRO 380 370 PHE 381 371 VAL 382 372 PHE 383 373 LEU 384 374 MET 385 375 ILE 386 376 GLU 387 377 GLN 388 378 ASN 389 379 THR 390 380 LYS 391 381 SER 392 382 PRO 393 383 LEU 394 384 PHE 395 385 MET 396 386 GLY 397 387 LYS 398 388 VAL 399 389 VAL 400 390 ASN 401 391 PRO 402 392 THR 403 393 GLN 404 394 LYS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-06-23 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB 1ATU "Uncleaved Alpha-1-Antitrypsin" 92.57 374 98.13 98.93 0.00e+00 PDB 1D5S "Crystal Structure Of Cleaved Antitrypsin Polymer" 82.67 334 100.00 100.00 0.00e+00 PDB 1EZX "Crystal Structure Of A Serpin:protease Complex" 82.92 335 100.00 100.00 0.00e+00 PDB 1HP7 "A 2.1 Angstrom Structure Of An Uncleaved Alpha-1-Antitrypsin Shows Variability Of The Reactive Center And Other Loops" 97.28 394 99.24 99.49 0.00e+00 PDB 1IZ2 "Interactions Causing The Kinetic Trap In Serpin Protein Folding" 97.28 394 97.46 98.47 0.00e+00 PDB 1KCT Alpha1-Antitrypsin 97.28 394 99.24 99.24 0.00e+00 PDB 1OO8 "Crystal Structure Of A1pi-Pittsburgh In The Native Conformation" 97.28 394 97.71 98.47 0.00e+00 PDB 1OPH "Non-Covalent Complex Between Alpha-1-Pi-Pittsburgh And S195a Trypsin" 97.28 394 97.71 98.47 0.00e+00 PDB 1PSI "Intact Recombined Alpha1-Antitrypsin Mutant Phe 51 To Leu" 97.28 394 99.49 99.49 0.00e+00 PDB 1QLP "2.0 Angstrom Structure Of Intact Alpha-1-Antitrypsin: A Canonical Template For Active Serpins" 97.28 394 100.00 100.00 0.00e+00 PDB 1QMB "Cleaved Alpha-1-Antitrypsin Polymer" 81.19 326 99.09 99.09 0.00e+00 PDB 2D26 "Active Site Distortion Is Sufficient For Proteinase Inhibit Second Crystal Structure Of Covalent Serpin-Proteinase Complex" 88.37 358 98.32 98.32 0.00e+00 PDB 2QUG "Crystal Structure Of Alpha-1-Antitrypsin, Crystal Form A" 97.28 394 99.75 99.75 0.00e+00 PDB 3CWL "Crystal Structure Of Alpha-1-Antitrypsin, Crystal Form B" 97.28 394 99.75 99.75 0.00e+00 PDB 3CWM "Crystal Structure Of Alpha-1-Antitrypsin Complexed With Citrate" 97.28 394 99.75 99.75 0.00e+00 PDB 3DRM "2.2 Angstrom Crystal Structure Of Thr114phe Alpha1- Antitrypsin" 100.00 404 99.75 99.75 0.00e+00 PDB 3DRU "Crystal Structure Of Gly117phe Alpha1-Antitrypsin" 100.00 404 99.75 99.75 0.00e+00 PDB 3NDD "Cleaved Antitrypsin With P10 Pro, And P9-P6 Asp" 83.17 343 98.21 98.21 0.00e+00 PDB 3NDF "Cleaved Antitrypsin With P8-P6 Asp" 83.17 343 98.81 98.81 0.00e+00 PDB 3T1P "Crystal Structure Of An Alpha-1-Antitrypsin Trimer" 91.83 371 98.92 98.92 0.00e+00 PDB 4PYW "1.92 Angstrom Crystal Structure Of A1at:ttai Ternary Complex" 100.00 404 100.00 100.00 0.00e+00 PDB 7API "The S Variant Of Human Alpha1-Antitrypsin, Structure And Implications For Function And Metabolism" 85.89 347 100.00 100.00 0.00e+00 PDB 8API "The S Variant Of Human Alpha1-antitrypsin, Structure And Implications For Function And Metabolism" 85.89 347 100.00 100.00 0.00e+00 PDB 9API "The S Variant Of Human Alpha1-Antitrypsin, Structure And Implications For Function And Metabolism" 85.89 347 100.00 100.00 0.00e+00 DBJ BAG38005 "unnamed protein product [Homo sapiens]" 97.28 418 100.00 100.00 0.00e+00 DBJ BAI45729 "serpin peptidase inhibitor, clade A (alpha-1 antiproteinase, antitrypsin), member 1 [synthetic construct]" 97.28 418 100.00 100.00 0.00e+00 EMBL CAA25838 "alpha 1-antitrypsin [Homo sapiens]" 97.28 418 100.00 100.00 0.00e+00 EMBL CAD61914 "unnamed protein product [Homo sapiens]" 97.28 418 100.00 100.00 0.00e+00 EMBL CAD62306 "unnamed protein product [Homo sapiens]" 97.28 418 100.00 100.00 0.00e+00 EMBL CAD62334 "unnamed protein product [Homo sapiens]" 69.55 309 100.00 100.00 0.00e+00 EMBL CAD62585 "unnamed protein product [Homo sapiens]" 81.93 370 99.70 99.70 0.00e+00 GB AAA51546 "alpha-1-antitrypsin [Homo sapiens]" 97.28 417 99.49 99.75 0.00e+00 GB AAA51547 "alpha-1-antitrypsin precursor [Homo sapiens]" 97.28 418 99.49 99.75 0.00e+00 GB AAB59375 "alpha-1-antitrypsin [Homo sapiens]" 97.28 418 100.00 100.00 0.00e+00 GB AAB59495 "alpha-1-antitrypsin [Homo sapiens]" 97.28 418 99.75 99.75 0.00e+00 GB AAF29581 "PRO0684 [Homo sapiens]" 97.28 418 99.75 99.75 0.00e+00 PRF 1012287A "antitrypsin alpha1 mutant" 97.28 418 99.49 99.75 0.00e+00 REF NP_000286 "alpha-1-antitrypsin precursor [Homo sapiens]" 97.28 418 100.00 100.00 0.00e+00 REF NP_001002235 "alpha-1-antitrypsin precursor [Homo sapiens]" 97.28 418 100.00 100.00 0.00e+00 REF NP_001002236 "alpha-1-antitrypsin precursor [Homo sapiens]" 97.28 418 100.00 100.00 0.00e+00 REF NP_001121172 "alpha-1-antitrypsin precursor [Homo sapiens]" 97.28 418 100.00 100.00 0.00e+00 REF NP_001121173 "alpha-1-antitrypsin precursor [Homo sapiens]" 97.28 418 100.00 100.00 0.00e+00 SP P01009 "RecName: Full=Alpha-1-antitrypsin; AltName: Full=Alpha-1 protease inhibitor; AltName: Full=Alpha-1-antiproteinase; AltName: Ful" 97.28 418 100.00 100.00 0.00e+00 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $AAT Human 9606 Eukaryota Metazoa Homo sapiens stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Variant _Vector_name $AAT 'recombinant technology' . Escherichia coli BL21 'Gold (DE3)' pQE31 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $AAT 0.225 mM '[U-100% 13C; U-100% 15N; U-80% 2H]' 'sodium phosphate' 25 mM 'natural abundance' 'sodium chloride' 50 mM 'natural abundance' EDTA 1 mM 'natural abundance' DSS 0.001 % 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $AAT 0.225 mM '[U-100% 13C; U-100% 15N; U-80% 2H]' 'sodium phosphate' 25 mM 'natural abundance' 'sodium chloride' 50 mM 'natural abundance' EDTA 1 mM 'natural abundance' DSS 0.001 % 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version 2.1.6 loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection stop_ _Details . save_ save_AZARA _Saveframe_category software _Name AZARA _Version 2.8 loop_ _Vendor _Address _Electronic_address Boucher . . stop_ loop_ _Task processing stop_ _Details . save_ save_VNMRJ _Saveframe_category software _Name VNMRJ _Version 2.2D loop_ _Vendor _Address _Electronic_address Varian . . stop_ loop_ _Task collection stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_CcpNmr_Analysis _Saveframe_category software _Name ANALYSIS _Version 2.2 loop_ _Vendor _Address _Electronic_address CCPN . . stop_ loop_ _Task 'chemical shift assignment' 'data analysis' 'peak picking' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 700 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _Details . save_ save_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 800 _Details . save_ save_spectrometer_4 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 900 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_HNCO_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCA_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HNCACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_HN(CO)CACB_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CACB' _Sample_label $sample_1 save_ save_3D_HN(CA)CO_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _Sample_label $sample_1 save_ save_3D_HNCO_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_2 save_ save_2D_1H-15N_HSQC_9 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_2 save_ save_3D_HNCA_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_2 save_ save_3D_HN(CO)CA_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_2 save_ save_2D_1H-15N_HSQC_12 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_2 save_ save_3D_HNCA_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_2 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.1 . M pH 8.0 . pH pressure 1 . atm temperature 298 . K stop_ save_ save_sample_conditions_2 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.1 . M pH 7.0 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details 'Uploaded chemical shifts already corrected for TROSY offset.' loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCO' '3D HNCA' '3D HNCACB' '3D HN(CO)CA' '3D HN(CO)CACB' '3D HN(CA)CO' stop_ loop_ _Sample_label $sample_1 $sample_2 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name AAT _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 6 16 ASP C C 176.556 0.000 1 2 7 17 ALA H H 8.248 0.004 1 3 7 17 ALA C C 177.886 0.008 1 4 7 17 ALA CA C 52.515 0.048 1 5 7 17 ALA CB C 18.295 0.024 1 6 7 17 ALA N N 124.052 0.027 1 7 8 18 ALA H H 8.137 0.006 1 8 8 18 ALA C C 177.935 0.020 1 9 8 18 ALA CA C 52.273 0.067 1 10 8 18 ALA CB C 18.317 0.005 1 11 8 18 ALA N N 121.951 0.035 1 12 9 19 GLN H H 8.145 0.010 1 13 9 19 GLN C C 176.035 0.000 1 14 9 19 GLN CA C 55.262 0.013 1 15 9 19 GLN CB C 28.561 0.000 1 16 9 19 GLN N N 118.653 0.021 1 17 15 25 HIS C C 177.216 0.007 1 18 15 25 HIS CA C 52.963 0.029 1 19 16 26 HIS H H 8.997 0.006 1 20 16 26 HIS C C 177.964 0.005 1 21 16 26 HIS CA C 56.334 0.028 1 22 16 26 HIS N N 123.391 0.008 1 23 17 27 ASP H H 7.996 0.006 1 24 17 27 ASP C C 178.982 0.000 1 25 17 27 ASP CA C 59.380 0.034 1 26 17 27 ASP N N 119.995 0.018 1 27 18 28 GLN H H 7.911 0.004 1 28 18 28 GLN C C 172.990 0.021 1 29 18 28 GLN CA C 54.702 0.072 1 30 18 28 GLN N N 118.539 0.018 1 31 19 29 ASP H H 9.734 0.007 1 32 19 29 ASP C C 173.005 0.000 1 33 19 29 ASP CA C 51.929 0.022 1 34 19 29 ASP N N 113.832 0.012 1 35 30 40 LEU C C 178.851 0.006 1 36 30 40 LEU CB C 41.706 0.000 1 37 31 41 ALA H H 8.427 0.006 1 38 31 41 ALA C C 177.915 0.025 1 39 31 41 ALA CA C 54.830 0.031 1 40 31 41 ALA CB C 17.402 0.051 1 41 31 41 ALA N N 120.928 0.103 1 42 32 42 GLU H H 7.613 0.008 1 43 32 42 GLU C C 179.971 0.009 1 44 32 42 GLU CA C 58.861 0.050 1 45 32 42 GLU CB C 28.230 0.016 1 46 32 42 GLU N N 116.057 0.014 1 47 33 43 PHE H H 8.233 0.008 1 48 33 43 PHE C C 176.327 0.043 1 49 33 43 PHE CA C 60.466 0.018 1 50 33 43 PHE CB C 38.233 0.025 1 51 33 43 PHE N N 121.980 0.018 1 52 34 44 ALA H H 8.417 0.007 1 53 34 44 ALA C C 178.782 0.012 1 54 34 44 ALA CA C 55.282 0.032 1 55 34 44 ALA CB C 17.702 0.031 1 56 34 44 ALA N N 120.536 0.027 1 57 35 45 PHE H H 7.998 0.006 1 58 35 45 PHE C C 178.364 0.011 1 59 35 45 PHE CA C 60.444 0.041 1 60 35 45 PHE CB C 37.219 0.000 1 61 35 45 PHE N N 114.512 0.020 1 62 36 46 SER H H 8.454 0.007 1 63 36 46 SER CA C 61.679 0.046 1 64 36 46 SER CB C 62.475 0.021 1 65 36 46 SER N N 117.131 0.036 1 66 37 47 LEU H H 8.341 0.003 1 67 37 47 LEU C C 177.728 0.000 1 68 37 47 LEU CA C 57.721 0.027 1 69 37 47 LEU CB C 39.629 0.000 1 70 37 47 LEU N N 123.740 0.013 1 71 38 48 TYR H H 8.664 0.007 1 72 38 48 TYR C C 176.889 0.012 1 73 38 48 TYR CA C 62.975 0.039 1 74 38 48 TYR CB C 38.403 0.000 1 75 38 48 TYR N N 118.799 0.032 1 76 39 49 ARG H H 8.430 0.009 1 77 39 49 ARG C C 179.059 0.019 1 78 39 49 ARG CA C 59.785 0.025 1 79 39 49 ARG CB C 28.914 0.010 1 80 39 49 ARG N N 115.723 0.026 1 81 40 50 GLN H H 7.531 0.006 1 82 40 50 GLN C C 178.694 0.020 1 83 40 50 GLN CA C 57.755 0.030 1 84 40 50 GLN CB C 27.271 0.004 1 85 40 50 GLN N N 118.095 0.025 1 86 41 51 LEU H H 7.884 0.006 1 87 41 51 LEU C C 179.875 0.010 1 88 41 51 LEU CA C 57.032 0.036 1 89 41 51 LEU CB C 40.361 0.022 1 90 41 51 LEU N N 119.593 0.039 1 91 42 52 ALA H H 8.752 0.008 1 92 42 52 ALA C C 179.214 0.017 1 93 42 52 ALA CA C 53.418 0.024 1 94 42 52 ALA CB C 16.592 0.069 1 95 42 52 ALA N N 122.105 0.015 1 96 43 53 HIS H H 7.542 0.006 1 97 43 53 HIS C C 176.780 0.027 1 98 43 53 HIS CA C 57.324 0.075 1 99 43 53 HIS CB C 29.703 0.000 1 100 43 53 HIS N N 116.186 0.107 1 101 44 54 GLN H H 7.612 0.007 1 102 44 54 GLN C C 176.494 0.000 1 103 44 54 GLN CA C 56.820 0.012 1 104 44 54 GLN CB C 28.406 0.000 1 105 44 54 GLN N N 117.122 0.034 1 106 47 57 SER C C 173.663 0.012 1 107 47 57 SER CA C 57.850 0.037 1 108 47 57 SER CB C 63.343 0.000 1 109 48 58 THR H H 7.554 0.004 1 110 48 58 THR C C 173.209 0.012 1 111 48 58 THR CA C 59.970 0.022 1 112 48 58 THR CB C 70.872 0.030 1 113 48 58 THR N N 114.158 0.031 1 114 49 59 ASN H H 8.802 0.008 1 115 49 59 ASN C C 176.268 0.009 1 116 49 59 ASN CA C 53.524 0.034 1 117 49 59 ASN CB C 37.534 0.050 1 118 49 59 ASN N N 121.277 0.031 1 119 50 60 ILE H H 9.109 0.010 1 120 50 60 ILE C C 175.465 0.013 1 121 50 60 ILE CA C 60.465 0.030 1 122 50 60 ILE CB C 41.273 0.027 1 123 50 60 ILE N N 122.907 0.044 1 124 51 61 PHE H H 8.152 0.005 1 125 51 61 PHE C C 171.047 0.000 1 126 51 61 PHE CA C 59.397 0.035 1 127 51 61 PHE CB C 40.027 0.000 1 128 51 61 PHE N N 123.831 0.028 1 129 54 64 PRO C C 177.873 0.002 1 130 54 64 PRO CA C 64.289 0.024 1 131 54 64 PRO CB C 31.225 0.000 1 132 55 65 VAL H H 6.332 0.007 1 133 55 65 VAL C C 177.166 0.000 1 134 55 65 VAL CA C 65.531 0.009 1 135 55 65 VAL CB C 31.685 0.000 1 136 55 65 VAL N N 110.587 0.035 1 137 59 69 THR H H 7.592 0.000 1 138 59 69 THR C C 176.802 0.000 1 139 59 69 THR CA C 65.813 0.014 1 140 59 69 THR N N 120.487 0.001 1 141 60 70 ALA H H 8.213 0.005 1 142 60 70 ALA CA C 54.900 0.136 1 143 60 70 ALA N N 118.943 0.138 1 144 61 71 PHE H H 7.626 0.009 1 145 61 71 PHE C C 177.022 0.001 1 146 61 71 PHE CA C 61.617 0.060 1 147 61 71 PHE CB C 37.975 0.054 1 148 61 71 PHE N N 114.265 0.046 1 149 62 72 ALA H H 8.624 0.008 1 150 62 72 ALA C C 180.652 0.023 1 151 62 72 ALA CA C 55.062 0.051 1 152 62 72 ALA CB C 16.297 0.054 1 153 62 72 ALA N N 126.575 0.034 1 154 63 73 MET H H 7.733 0.007 1 155 63 73 MET C C 177.547 0.007 1 156 63 73 MET CA C 58.510 0.023 1 157 63 73 MET CB C 29.495 0.015 1 158 63 73 MET N N 120.468 0.032 1 159 64 74 LEU H H 7.607 0.007 1 160 64 74 LEU C C 179.396 0.011 1 161 64 74 LEU CA C 56.815 0.024 1 162 64 74 LEU CB C 40.827 0.000 1 163 64 74 LEU N N 117.913 0.036 1 164 65 75 SER H H 8.096 0.004 1 165 65 75 SER C C 177.495 0.021 1 166 65 75 SER CA C 61.162 0.049 1 167 65 75 SER N N 113.135 0.028 1 168 66 76 LEU H H 7.762 0.004 1 169 66 76 LEU C C 179.243 0.045 1 170 66 76 LEU CA C 57.046 0.025 1 171 66 76 LEU CB C 40.704 0.060 1 172 66 76 LEU N N 123.948 0.074 1 173 67 77 GLY H H 8.540 0.011 1 174 67 77 GLY C C 172.570 0.012 1 175 67 77 GLY CA C 44.222 0.044 1 176 67 77 GLY N N 106.287 0.020 1 177 68 78 THR H H 7.585 0.010 1 178 68 78 THR C C 174.425 0.026 1 179 68 78 THR CA C 58.524 0.042 1 180 68 78 THR CB C 73.150 0.025 1 181 68 78 THR N N 108.986 0.052 1 182 69 79 LYS H H 7.532 0.006 1 183 69 79 LYS C C 175.870 0.017 1 184 69 79 LYS CA C 53.410 0.034 1 185 69 79 LYS CB C 36.008 0.012 1 186 69 79 LYS N N 115.828 0.064 1 187 70 80 ALA H H 8.702 0.006 1 188 70 80 ALA C C 176.602 0.018 1 189 70 80 ALA CA C 52.774 0.037 1 190 70 80 ALA CB C 16.969 0.006 1 191 70 80 ALA N N 122.284 0.020 1 192 71 81 ASP H H 8.761 0.007 1 193 71 81 ASP C C 178.448 0.000 1 194 71 81 ASP CA C 56.488 0.028 1 195 71 81 ASP CB C 38.727 0.000 1 196 71 81 ASP N N 119.284 0.048 1 197 72 82 THR C C 175.188 0.014 1 198 72 82 THR CA C 67.770 0.014 1 199 73 83 HIS H H 6.781 0.008 1 200 73 83 HIS C C 176.538 0.031 1 201 73 83 HIS CA C 58.775 0.105 1 202 73 83 HIS CB C 27.468 0.010 1 203 73 83 HIS N N 120.950 0.082 1 204 74 84 ASP H H 8.604 0.021 1 205 74 84 ASP C C 177.282 0.023 1 206 74 84 ASP CA C 57.021 0.026 1 207 74 84 ASP CB C 38.697 0.009 1 208 74 84 ASP N N 119.691 0.103 1 209 75 85 GLU H H 8.011 0.014 1 210 75 85 GLU C C 179.942 0.011 1 211 75 85 GLU CA C 58.923 0.043 1 212 75 85 GLU CB C 30.488 0.065 1 213 75 85 GLU N N 117.257 0.062 1 214 76 86 ILE H H 7.170 0.013 1 215 76 86 ILE C C 176.189 0.008 1 216 76 86 ILE CA C 65.573 0.038 1 217 76 86 ILE CB C 37.356 0.075 1 218 76 86 ILE N N 116.594 0.042 1 219 77 87 LEU H H 6.951 0.013 1 220 77 87 LEU C C 179.308 0.029 1 221 77 87 LEU CA C 57.733 0.023 1 222 77 87 LEU CB C 39.908 0.046 1 223 77 87 LEU N N 114.889 0.018 1 224 78 88 GLU H H 8.531 0.011 1 225 78 88 GLU C C 181.716 0.028 1 226 78 88 GLU CA C 58.629 0.028 1 227 78 88 GLU CB C 28.414 0.005 1 228 78 88 GLU N N 117.745 0.035 1 229 79 89 GLY H H 8.277 0.006 1 230 79 89 GLY C C 173.847 0.005 1 231 79 89 GLY CA C 45.866 0.036 1 232 79 89 GLY N N 111.601 0.026 1 233 80 90 LEU H H 7.180 0.006 1 234 80 90 LEU C C 173.740 0.027 1 235 80 90 LEU CA C 53.889 0.034 1 236 80 90 LEU CB C 40.385 0.038 1 237 80 90 LEU N N 118.637 0.024 1 238 81 91 ASN H H 7.705 0.007 1 239 81 91 ASN C C 174.734 0.013 1 240 81 91 ASN CA C 54.338 0.049 1 241 81 91 ASN CB C 36.476 0.023 1 242 81 91 ASN N N 107.160 0.052 1 243 82 92 PHE H H 7.758 0.007 1 244 82 92 PHE C C 174.110 0.006 1 245 82 92 PHE CA C 57.638 0.029 1 246 82 92 PHE CB C 39.510 0.028 1 247 82 92 PHE N N 115.326 0.031 1 248 83 93 ASN H H 8.556 0.008 1 249 83 93 ASN C C 176.648 0.008 1 250 83 93 ASN CA C 51.408 0.045 1 251 83 93 ASN CB C 37.862 0.042 1 252 83 93 ASN N N 119.854 0.024 1 253 84 94 LEU H H 8.970 0.006 1 254 84 94 LEU C C 178.504 0.025 1 255 84 94 LEU CA C 56.066 0.049 1 256 84 94 LEU CB C 39.513 0.006 1 257 84 94 LEU N N 125.725 0.041 1 258 85 95 THR H H 8.176 0.009 1 259 85 95 THR C C 175.205 0.017 1 260 85 95 THR CA C 63.702 0.035 1 261 85 95 THR CB C 68.525 0.027 1 262 85 95 THR N N 111.177 0.040 1 263 86 96 GLU H H 7.606 0.005 1 264 86 96 GLU C C 176.256 0.006 1 265 86 96 GLU CA C 56.741 0.018 1 266 86 96 GLU CB C 31.008 0.045 1 267 86 96 GLU N N 120.451 0.022 1 268 87 97 ILE H H 7.951 0.013 1 269 87 97 ILE C C 171.101 0.000 1 270 87 97 ILE CA C 56.820 0.036 1 271 87 97 ILE CB C 39.777 0.000 1 272 87 97 ILE N N 119.969 0.024 1 273 88 98 PRO C C 176.443 0.005 1 274 88 98 PRO CA C 61.497 0.035 1 275 88 98 PRO CB C 31.642 0.000 1 276 89 99 GLU H H 8.901 0.018 1 277 89 99 GLU C C 177.571 0.021 1 278 89 99 GLU CA C 59.716 0.048 1 279 89 99 GLU CB C 28.357 0.054 1 280 89 99 GLU N N 123.553 0.092 1 281 90 100 ALA H H 8.789 0.021 1 282 90 100 ALA C C 180.864 0.017 1 283 90 100 ALA CA C 55.059 0.042 1 284 90 100 ALA CB C 17.710 0.039 1 285 90 100 ALA N N 117.954 0.038 1 286 91 101 GLN H H 7.331 0.006 1 287 91 101 GLN C C 178.816 0.017 1 288 91 101 GLN CA C 57.829 0.030 1 289 91 101 GLN CB C 27.899 0.056 1 290 91 101 GLN N N 114.206 0.052 1 291 92 102 ILE H H 7.373 0.006 1 292 92 102 ILE C C 177.368 0.008 1 293 92 102 ILE CA C 65.136 0.037 1 294 92 102 ILE CB C 36.486 0.032 1 295 92 102 ILE N N 122.867 0.038 1 296 93 103 HIS H H 7.283 0.027 1 297 93 103 HIS C C 178.625 0.012 1 298 93 103 HIS CA C 59.512 0.030 1 299 93 103 HIS CB C 29.965 0.010 1 300 93 103 HIS N N 115.707 0.034 1 301 94 104 GLU H H 7.994 0.010 1 302 94 104 GLU C C 179.355 0.018 1 303 94 104 GLU CA C 59.241 0.022 1 304 94 104 GLU CB C 28.967 0.035 1 305 94 104 GLU N N 117.918 0.035 1 306 95 105 GLY H H 7.994 0.005 1 307 95 105 GLY C C 176.651 0.026 1 308 95 105 GLY CA C 46.763 0.040 1 309 95 105 GLY N N 107.489 0.051 1 310 96 106 PHE H H 8.477 0.010 1 311 96 106 PHE C C 178.299 0.022 1 312 96 106 PHE CA C 62.091 0.040 1 313 96 106 PHE CB C 38.239 0.032 1 314 96 106 PHE N N 121.888 0.026 1 315 97 107 GLN H H 8.729 0.006 1 316 97 107 GLN C C 179.069 0.020 1 317 97 107 GLN CA C 59.206 0.033 1 318 97 107 GLN CB C 27.647 0.061 1 319 97 107 GLN N N 119.739 0.032 1 320 98 108 GLU H H 8.059 0.008 1 321 98 108 GLU C C 179.105 0.026 1 322 98 108 GLU CA C 58.545 0.041 1 323 98 108 GLU CB C 28.645 0.065 1 324 98 108 GLU N N 119.659 0.022 1 325 99 109 LEU H H 7.979 0.005 1 326 99 109 LEU C C 178.792 0.027 1 327 99 109 LEU CA C 57.969 0.032 1 328 99 109 LEU CB C 40.851 0.036 1 329 99 109 LEU N N 122.151 0.015 1 330 100 110 LEU H H 8.610 0.006 1 331 100 110 LEU C C 179.485 0.004 1 332 100 110 LEU CA C 57.782 0.032 1 333 100 110 LEU CB C 40.510 0.035 1 334 100 110 LEU N N 118.935 0.020 1 335 101 111 ARG H H 8.052 0.005 1 336 101 111 ARG C C 179.381 0.010 1 337 101 111 ARG CA C 59.259 0.023 1 338 101 111 ARG CB C 29.093 0.034 1 339 101 111 ARG N N 119.198 0.032 1 340 102 112 THR H H 7.814 0.005 1 341 102 112 THR C C 176.715 0.045 1 342 102 112 THR CA C 65.653 0.021 1 343 102 112 THR CB C 68.535 0.041 1 344 102 112 THR N N 114.259 0.051 1 345 103 113 LEU H H 7.966 0.009 1 346 103 113 LEU C C 177.047 0.016 1 347 103 113 LEU CA C 56.275 0.034 1 348 103 113 LEU CB C 40.534 0.019 1 349 103 113 LEU N N 119.820 0.037 1 350 104 114 ASN H H 7.711 0.006 1 351 104 114 ASN C C 174.926 0.008 1 352 104 114 ASN CA C 52.527 0.050 1 353 104 114 ASN CB C 38.622 0.055 1 354 104 114 ASN N N 115.308 0.019 1 355 105 115 GLN H H 7.491 0.005 1 356 105 115 GLN C C 175.647 0.000 1 357 105 115 GLN CA C 54.087 0.017 1 358 105 115 GLN CB C 27.999 0.000 1 359 105 115 GLN N N 121.458 0.025 1 360 111 121 GLN C C 173.899 0.025 1 361 111 121 GLN CA C 55.269 0.023 1 362 111 121 GLN CB C 27.159 0.020 1 363 112 122 LEU H H 8.249 0.016 1 364 112 122 LEU C C 176.215 0.049 1 365 112 122 LEU CA C 54.355 0.032 1 366 112 122 LEU CB C 43.848 0.013 1 367 112 122 LEU N N 124.747 0.042 1 368 113 123 THR H H 8.769 0.007 1 369 113 123 THR C C 173.154 0.011 1 370 113 123 THR CA C 61.190 0.041 1 371 113 123 THR CB C 70.722 0.039 1 372 113 123 THR N N 121.789 0.029 1 373 114 124 THR H H 8.997 0.009 1 374 114 124 THR C C 171.605 0.010 1 375 114 124 THR CA C 58.458 0.016 1 376 114 124 THR CB C 70.633 0.038 1 377 114 124 THR N N 120.706 0.021 1 378 115 125 GLY H H 7.263 0.007 1 379 115 125 GLY C C 170.127 0.013 1 380 115 125 GLY CA C 44.936 0.028 1 381 115 125 GLY N N 112.333 0.019 1 382 116 126 ASN H H 8.228 0.007 1 383 116 126 ASN C C 174.320 0.010 1 384 116 126 ASN CA C 52.706 0.024 1 385 116 126 ASN CB C 42.862 0.053 1 386 116 126 ASN N N 115.112 0.029 1 387 117 127 GLY H H 9.458 0.005 1 388 117 127 GLY C C 171.462 0.011 1 389 117 127 GLY CA C 44.613 0.032 1 390 117 127 GLY N N 108.738 0.014 1 391 118 128 LEU H H 8.473 0.005 1 392 118 128 LEU C C 174.134 0.015 1 393 118 128 LEU CA C 53.656 0.028 1 394 118 128 LEU CB C 42.695 0.004 1 395 118 128 LEU N N 125.782 0.022 1 396 119 129 PHE H H 9.415 0.005 1 397 119 129 PHE C C 174.434 0.008 1 398 119 129 PHE CA C 56.607 0.027 1 399 119 129 PHE CB C 40.484 0.018 1 400 119 129 PHE N N 120.594 0.017 1 401 120 130 LEU H H 9.066 0.005 1 402 120 130 LEU C C 175.750 0.002 1 403 120 130 LEU CA C 53.546 0.031 1 404 120 130 LEU CB C 45.009 0.024 1 405 120 130 LEU N N 125.989 0.021 1 406 121 131 SER H H 8.159 0.006 1 407 121 131 SER C C 175.313 0.012 1 408 121 131 SER CA C 58.968 0.034 1 409 121 131 SER CB C 64.341 0.066 1 410 121 131 SER N N 114.080 0.027 1 411 122 132 GLU H H 8.094 0.006 1 412 122 132 GLU C C 176.612 0.000 1 413 122 132 GLU CA C 57.154 0.006 1 414 122 132 GLU CB C 28.914 0.000 1 415 122 132 GLU N N 124.341 0.019 1 416 123 133 GLY H H 8.236 0.004 1 417 123 133 GLY C C 174.213 0.017 1 418 123 133 GLY CA C 44.786 0.067 1 419 123 133 GLY N N 107.911 0.030 1 420 124 134 LEU H H 7.278 0.005 1 421 124 134 LEU C C 176.281 0.014 1 422 124 134 LEU CA C 53.607 0.027 1 423 124 134 LEU CB C 42.562 0.018 1 424 124 134 LEU N N 119.853 0.010 1 425 125 135 LYS H H 8.631 0.006 1 426 125 135 LYS C C 176.815 0.012 1 427 125 135 LYS CA C 55.236 0.027 1 428 125 135 LYS CB C 30.981 0.037 1 429 125 135 LYS N N 123.797 0.018 1 430 126 136 LEU H H 8.937 0.009 1 431 126 136 LEU C C 177.028 0.039 1 432 126 136 LEU CA C 53.829 0.049 1 433 126 136 LEU CB C 41.247 0.017 1 434 126 136 LEU N N 131.489 0.036 1 435 127 137 VAL H H 8.257 0.005 1 436 127 137 VAL C C 177.170 0.026 1 437 127 137 VAL CA C 62.584 0.022 1 438 127 137 VAL CB C 30.692 0.048 1 439 127 137 VAL N N 124.341 0.029 1 440 128 138 ASP H H 8.461 0.005 1 441 128 138 ASP C C 178.307 0.010 1 442 128 138 ASP CA C 57.933 0.039 1 443 128 138 ASP CB C 39.891 0.054 1 444 128 138 ASP N N 129.051 0.015 1 445 129 139 LYS H H 8.379 0.007 1 446 129 139 LYS C C 177.210 0.014 1 447 129 139 LYS CA C 58.761 0.019 1 448 129 139 LYS CB C 31.707 0.012 1 449 129 139 LYS N N 119.159 0.030 1 450 130 140 PHE H H 6.855 0.007 1 451 130 140 PHE C C 176.294 0.005 1 452 130 140 PHE CA C 60.538 0.038 1 453 130 140 PHE CB C 38.813 0.024 1 454 130 140 PHE N N 117.402 0.029 1 455 131 141 LEU H H 7.105 0.006 1 456 131 141 LEU C C 179.796 0.012 1 457 131 141 LEU CA C 56.963 0.024 1 458 131 141 LEU CB C 40.158 0.040 1 459 131 141 LEU N N 115.499 0.035 1 460 132 142 GLU H H 8.142 0.005 1 461 132 142 GLU C C 178.679 0.012 1 462 132 142 GLU CA C 58.508 0.035 1 463 132 142 GLU CB C 28.836 0.048 1 464 132 142 GLU N N 117.786 0.042 1 465 133 143 ASP H H 8.542 0.008 1 466 133 143 ASP C C 179.270 0.019 1 467 133 143 ASP CA C 57.484 0.042 1 468 133 143 ASP CB C 39.793 0.107 1 469 133 143 ASP N N 121.412 0.018 1 470 134 144 VAL H H 8.323 0.007 1 471 134 144 VAL C C 178.156 0.010 1 472 134 144 VAL CA C 65.936 0.052 1 473 134 144 VAL CB C 29.931 0.006 1 474 134 144 VAL N N 115.685 0.051 1 475 135 145 LYS H H 7.016 0.010 1 476 135 145 LYS C C 178.892 0.015 1 477 135 145 LYS CA C 58.528 0.012 1 478 135 145 LYS CB C 32.006 0.022 1 479 135 145 LYS N N 119.775 0.026 1 480 136 146 LYS H H 8.494 0.005 1 481 136 146 LYS C C 177.899 0.011 1 482 136 146 LYS CA C 58.647 0.047 1 483 136 146 LYS CB C 32.183 0.006 1 484 136 146 LYS N N 118.461 0.022 1 485 137 147 LEU H H 8.324 0.009 1 486 137 147 LEU C C 176.962 0.000 1 487 137 147 LEU CA C 55.947 0.028 1 488 137 147 LEU CB C 41.914 0.000 1 489 137 147 LEU N N 115.153 0.036 1 490 138 148 TYR C C 175.781 0.004 1 491 138 148 TYR CA C 58.417 0.032 1 492 138 148 TYR CB C 40.321 0.000 1 493 139 149 HIS H H 7.404 0.009 1 494 139 149 HIS C C 175.089 0.026 1 495 139 149 HIS CA C 56.627 0.064 1 496 139 149 HIS CB C 27.543 0.020 1 497 139 149 HIS N N 117.960 0.033 1 498 140 150 SER H H 8.021 0.008 1 499 140 150 SER C C 171.874 0.004 1 500 140 150 SER CA C 58.242 0.030 1 501 140 150 SER CB C 65.387 0.019 1 502 140 150 SER N N 114.087 0.034 1 503 141 151 GLU H H 7.928 0.008 1 504 141 151 GLU C C 173.187 0.015 1 505 141 151 GLU CA C 54.933 0.022 1 506 141 151 GLU CB C 32.823 0.028 1 507 141 151 GLU N N 119.343 0.030 1 508 142 152 ALA H H 7.795 0.007 1 509 142 152 ALA C C 175.333 0.013 1 510 142 152 ALA CA C 49.356 0.025 1 511 142 152 ALA CB C 20.610 0.006 1 512 142 152 ALA N N 122.006 0.013 1 513 143 153 PHE H H 8.698 0.005 1 514 143 153 PHE C C 175.007 0.005 1 515 143 153 PHE CA C 55.944 0.021 1 516 143 153 PHE CB C 42.316 0.021 1 517 143 153 PHE N N 120.110 0.019 1 518 144 154 THR H H 8.436 0.004 1 519 144 154 THR C C 174.835 0.026 1 520 144 154 THR CA C 59.254 0.022 1 521 144 154 THR CB C 70.026 0.014 1 522 144 154 THR N N 113.249 0.029 1 523 145 155 VAL H H 8.450 0.006 1 524 145 155 VAL C C 173.522 0.007 1 525 145 155 VAL CA C 58.693 0.016 1 526 145 155 VAL CB C 35.377 0.023 1 527 145 155 VAL N N 117.645 0.017 1 528 146 156 ASN H H 8.530 0.006 1 529 146 156 ASN C C 176.169 0.006 1 530 146 156 ASN CA C 50.843 0.054 1 531 146 156 ASN CB C 36.584 0.041 1 532 146 156 ASN N N 120.896 0.014 1 533 147 157 PHE H H 8.682 0.007 1 534 147 157 PHE C C 175.686 0.009 1 535 147 157 PHE CA C 60.349 0.024 1 536 147 157 PHE CB C 38.838 0.024 1 537 147 157 PHE N N 124.834 0.029 1 538 148 158 GLY H H 8.277 0.006 1 539 148 158 GLY C C 174.007 0.011 1 540 148 158 GLY CA C 46.173 0.029 1 541 148 158 GLY N N 105.547 0.030 1 542 149 159 ASP H H 6.905 0.007 1 543 149 159 ASP C C 175.841 0.009 1 544 149 159 ASP CA C 51.676 0.051 1 545 149 159 ASP CB C 40.134 0.080 1 546 149 159 ASP N N 119.906 0.019 1 547 150 160 THR H H 8.147 0.007 1 548 150 160 THR C C 176.753 0.024 1 549 150 160 THR CA C 65.917 0.052 1 550 150 160 THR CB C 68.365 0.041 1 551 150 160 THR N N 115.561 0.061 1 552 151 161 GLU H H 8.282 0.005 1 553 151 161 GLU C C 179.422 0.019 1 554 151 161 GLU CA C 58.589 0.022 1 555 151 161 GLU CB C 28.213 0.062 1 556 151 161 GLU N N 120.007 0.043 1 557 152 162 GLU H H 7.729 0.006 1 558 152 162 GLU C C 178.780 0.018 1 559 152 162 GLU CA C 58.175 0.045 1 560 152 162 GLU CB C 28.362 0.026 1 561 152 162 GLU N N 121.956 0.025 1 562 153 163 ALA H H 8.518 0.005 1 563 153 163 ALA C C 178.974 0.029 1 564 153 163 ALA CA C 54.960 0.027 1 565 153 163 ALA CB C 17.672 0.016 1 566 153 163 ALA N N 122.438 0.023 1 567 154 164 LYS H H 7.922 0.005 1 568 154 164 LYS C C 177.102 0.016 1 569 154 164 LYS CA C 59.945 0.022 1 570 154 164 LYS CB C 31.284 0.015 1 571 154 164 LYS N N 116.122 0.019 1 572 155 165 LYS H H 7.408 0.005 1 573 155 165 LYS C C 178.414 0.006 1 574 155 165 LYS CA C 59.059 0.024 1 575 155 165 LYS CB C 31.264 0.011 1 576 155 165 LYS N N 118.141 0.013 1 577 156 166 GLN H H 8.107 0.006 1 578 156 166 GLN C C 179.503 0.008 1 579 156 166 GLN CA C 58.941 0.030 1 580 156 166 GLN CB C 27.527 0.007 1 581 156 166 GLN N N 117.921 0.015 1 582 157 167 ILE H H 7.820 0.007 1 583 157 167 ILE C C 177.120 0.021 1 584 157 167 ILE CA C 64.780 0.020 1 585 157 167 ILE CB C 36.798 0.067 1 586 157 167 ILE N N 120.041 0.023 1 587 158 168 ASN H H 8.384 0.005 1 588 158 168 ASN C C 179.136 0.014 1 589 158 168 ASN CA C 55.484 0.015 1 590 158 168 ASN CB C 36.661 0.036 1 591 158 168 ASN N N 117.586 0.027 1 592 159 169 ASP H H 9.094 0.006 1 593 159 169 ASP C C 178.191 0.016 1 594 159 169 ASP CA C 57.038 0.029 1 595 159 169 ASP CB C 40.127 0.074 1 596 159 169 ASP N N 122.355 0.025 1 597 160 170 TYR H H 7.671 0.006 1 598 160 170 TYR C C 178.473 0.029 1 599 160 170 TYR CA C 60.808 0.026 1 600 160 170 TYR CB C 36.943 0.042 1 601 160 170 TYR N N 120.725 0.038 1 602 161 171 VAL H H 7.671 0.007 1 603 161 171 VAL C C 178.041 0.012 1 604 161 171 VAL CA C 65.322 0.027 1 605 161 171 VAL CB C 30.519 0.075 1 606 161 171 VAL N N 119.911 0.048 1 607 162 172 GLU H H 8.647 0.006 1 608 162 172 GLU C C 179.271 0.016 1 609 162 172 GLU CA C 59.809 0.023 1 610 162 172 GLU CB C 28.592 0.007 1 611 162 172 GLU N N 124.006 0.023 1 612 163 173 LYS H H 8.457 0.005 1 613 163 173 LYS C C 181.265 0.013 1 614 163 173 LYS CA C 58.800 0.015 1 615 163 173 LYS CB C 30.973 0.026 1 616 163 173 LYS N N 119.021 0.017 1 617 164 174 GLY H H 8.055 0.007 1 618 164 174 GLY C C 174.847 0.010 1 619 164 174 GLY CA C 45.897 0.046 1 620 164 174 GLY N N 107.827 0.019 1 621 165 175 THR H H 7.434 0.005 1 622 165 175 THR C C 175.019 0.039 1 623 165 175 THR CA C 60.268 0.020 1 624 165 175 THR CB C 69.382 0.008 1 625 165 175 THR N N 106.231 0.013 1 626 166 176 GLN H H 7.840 0.005 1 627 166 176 GLN C C 176.379 0.017 1 628 166 176 GLN CA C 56.528 0.021 1 629 166 176 GLN CB C 25.442 0.006 1 630 166 176 GLN N N 119.592 0.026 1 631 167 177 GLY H H 8.926 0.008 1 632 167 177 GLY C C 174.360 0.017 1 633 167 177 GLY CA C 44.617 0.029 1 634 167 177 GLY N N 103.523 0.033 1 635 168 178 LYS H H 7.362 0.007 1 636 168 178 LYS C C 176.906 0.016 1 637 168 178 LYS CA C 57.217 0.028 1 638 168 178 LYS CB C 31.644 0.039 1 639 168 178 LYS N N 118.190 0.030 1 640 169 179 ILE H H 7.640 0.006 1 641 169 179 ILE C C 173.468 0.012 1 642 169 179 ILE CA C 60.260 0.027 1 643 169 179 ILE CB C 36.411 0.011 1 644 169 179 ILE N N 116.997 0.012 1 645 170 180 VAL H H 7.861 0.006 1 646 170 180 VAL C C 175.492 0.009 1 647 170 180 VAL CA C 59.212 0.030 1 648 170 180 VAL CB C 33.741 0.000 1 649 170 180 VAL N N 120.244 0.019 1 650 171 181 ASP H H 8.989 0.007 1 651 171 181 ASP C C 174.893 0.012 1 652 171 181 ASP CA C 54.292 0.034 1 653 171 181 ASP CB C 39.134 0.017 1 654 171 181 ASP N N 122.283 0.013 1 655 172 182 LEU H H 7.265 0.005 1 656 172 182 LEU C C 177.203 0.009 1 657 172 182 LEU CA C 58.541 0.025 1 658 172 182 LEU CB C 41.638 0.001 1 659 172 182 LEU N N 118.112 0.015 1 660 173 183 VAL H H 9.619 0.007 1 661 173 183 VAL C C 175.570 0.000 1 662 173 183 VAL CA C 61.743 0.009 1 663 173 183 VAL CB C 31.528 0.000 1 664 173 183 VAL N N 117.387 0.015 1 665 177 187 ASP C C 176.211 0.021 1 666 177 187 ASP CA C 54.244 0.031 1 667 177 187 ASP CB C 40.621 0.077 1 668 178 188 ARG H H 8.281 0.009 1 669 178 188 ARG C C 175.534 0.010 1 670 178 188 ARG CA C 55.471 0.033 1 671 178 188 ARG CB C 28.680 0.028 1 672 178 188 ARG N N 119.730 0.031 1 673 179 189 ASP H H 8.281 0.006 1 674 179 189 ASP C C 175.519 0.000 1 675 179 189 ASP CA C 54.134 0.076 1 676 179 189 ASP CB C 40.581 0.007 1 677 179 189 ASP N N 120.733 0.079 1 678 180 190 THR H H 7.748 0.017 1 679 180 190 THR CA C 62.825 0.000 1 680 180 190 THR CB C 70.477 0.000 1 681 180 190 THR N N 118.682 0.009 1 682 181 191 VAL C C 174.405 0.011 1 683 181 191 VAL CA C 60.951 0.091 1 684 181 191 VAL CB C 33.892 0.000 1 685 182 192 PHE H H 7.022 0.008 1 686 182 192 PHE C C 173.590 0.014 1 687 182 192 PHE CA C 53.735 0.027 1 688 182 192 PHE CB C 39.129 0.013 1 689 182 192 PHE N N 120.965 0.021 1 690 183 193 ALA H H 10.065 0.005 1 691 183 193 ALA C C 173.596 0.011 1 692 183 193 ALA CA C 49.395 0.026 1 693 183 193 ALA CB C 21.292 0.007 1 694 183 193 ALA N N 129.980 0.018 1 695 184 194 LEU H H 8.669 0.005 1 696 184 194 LEU C C 175.308 0.019 1 697 184 194 LEU CA C 53.687 0.022 1 698 184 194 LEU CB C 45.736 0.022 1 699 184 194 LEU N N 123.280 0.017 1 700 185 195 VAL H H 9.379 0.006 1 701 185 195 VAL C C 172.938 0.021 1 702 185 195 VAL CA C 59.310 0.030 1 703 185 195 VAL CB C 33.741 0.023 1 704 185 195 VAL N N 120.489 0.057 1 705 186 196 ASN H H 9.021 0.006 1 706 186 196 ASN C C 172.605 0.020 1 707 186 196 ASN CA C 53.107 0.036 1 708 186 196 ASN CB C 43.110 0.039 1 709 186 196 ASN N N 124.578 0.023 1 710 187 197 TYR H H 8.217 0.005 1 711 187 197 TYR C C 174.110 0.013 1 712 187 197 TYR CA C 53.954 0.033 1 713 187 197 TYR CB C 41.407 0.032 1 714 187 197 TYR N N 121.260 0.014 1 715 188 198 ILE H H 8.708 0.005 1 716 188 198 ILE C C 171.131 0.024 1 717 188 198 ILE CA C 59.783 0.021 1 718 188 198 ILE CB C 39.325 0.014 1 719 188 198 ILE N N 118.373 0.022 1 720 189 199 PHE H H 9.283 0.005 1 721 189 199 PHE C C 173.305 0.019 1 722 189 199 PHE CA C 55.491 0.037 1 723 189 199 PHE CB C 42.559 0.067 1 724 189 199 PHE N N 127.220 0.021 1 725 190 200 PHE H H 8.097 0.006 1 726 190 200 PHE C C 172.205 0.017 1 727 190 200 PHE CA C 55.681 0.040 1 728 190 200 PHE CB C 44.290 0.066 1 729 190 200 PHE N N 125.972 0.030 1 730 191 201 LYS H H 7.818 0.010 1 731 191 201 LYS C C 174.173 0.012 1 732 191 201 LYS CA C 55.714 0.018 1 733 191 201 LYS CB C 33.687 0.025 1 734 191 201 LYS N N 127.605 0.035 1 735 192 202 GLY H H 7.444 0.012 1 736 192 202 GLY C C 171.887 0.026 1 737 192 202 GLY CA C 44.199 0.044 1 738 192 202 GLY N N 113.015 0.047 1 739 193 203 LYS H H 8.922 0.017 1 740 193 203 LYS C C 175.376 0.008 1 741 193 203 LYS CA C 53.867 0.076 1 742 193 203 LYS CB C 34.460 0.036 1 743 193 203 LYS N N 120.584 0.059 1 744 194 204 TRP H H 8.656 0.019 1 745 194 204 TRP C C 176.939 0.007 1 746 194 204 TRP CA C 56.360 0.034 1 747 194 204 TRP CB C 31.777 0.000 1 748 194 204 TRP N N 124.263 0.035 1 749 195 205 GLU H H 8.319 0.008 1 750 195 205 GLU C C 176.904 0.000 1 751 195 205 GLU CA C 59.410 0.042 1 752 195 205 GLU CB C 29.330 0.062 1 753 195 205 GLU N N 119.840 0.060 1 754 196 206 ARG H H 8.293 0.020 1 755 196 206 ARG C C 172.869 0.000 1 756 196 206 ARG CA C 51.321 0.038 1 757 196 206 ARG CB C 29.139 0.000 1 758 196 206 ARG N N 116.862 0.038 1 759 197 207 PRO C C 176.523 0.018 1 760 197 207 PRO CA C 62.436 0.021 1 761 197 207 PRO CB C 32.736 0.004 1 762 198 208 PHE H H 8.667 0.005 1 763 198 208 PHE C C 175.035 0.006 1 764 198 208 PHE CA C 56.840 0.018 1 765 198 208 PHE CB C 39.922 0.005 1 766 198 208 PHE N N 117.131 0.022 1 767 199 209 GLU H H 9.650 0.011 1 768 199 209 GLU C C 178.094 0.010 1 769 199 209 GLU CA C 55.072 0.056 1 770 199 209 GLU CB C 28.714 0.007 1 771 199 209 GLU N N 120.849 0.018 1 772 200 210 VAL H H 8.695 0.006 1 773 200 210 VAL C C 178.403 0.012 1 774 200 210 VAL CA C 65.102 0.048 1 775 200 210 VAL CB C 30.852 0.042 1 776 200 210 VAL N N 128.537 0.032 1 777 201 211 LYS H H 8.884 0.007 1 778 201 211 LYS C C 176.564 0.033 1 779 201 211 LYS CA C 57.802 0.016 1 780 201 211 LYS CB C 30.538 0.022 1 781 201 211 LYS N N 118.146 0.023 1 782 202 212 ASP H H 7.666 0.006 1 783 202 212 ASP C C 175.516 0.037 1 784 202 212 ASP CA C 54.287 0.039 1 785 202 212 ASP CB C 41.363 0.051 1 786 202 212 ASP N N 118.037 0.026 1 787 203 213 THR H H 7.594 0.006 1 788 203 213 THR C C 174.811 0.025 1 789 203 213 THR CA C 62.449 0.037 1 790 203 213 THR CB C 67.555 0.017 1 791 203 213 THR N N 120.284 0.053 1 792 204 214 GLU H H 8.377 0.009 1 793 204 214 GLU C C 175.283 0.013 1 794 204 214 GLU CA C 54.248 0.035 1 795 204 214 GLU CB C 33.528 0.010 1 796 204 214 GLU N N 126.648 0.041 1 797 205 215 GLU H H 8.787 0.009 1 798 205 215 GLU C C 176.442 0.011 1 799 205 215 GLU CA C 56.800 0.020 1 800 205 215 GLU CB C 29.526 0.034 1 801 205 215 GLU N N 123.399 0.019 1 802 206 216 GLU H H 8.891 0.005 1 803 206 216 GLU C C 174.621 0.012 1 804 206 216 GLU CA C 54.021 0.026 1 805 206 216 GLU CB C 34.755 0.037 1 806 206 216 GLU N N 123.593 0.051 1 807 207 217 ASP H H 8.353 0.006 1 808 207 217 ASP C C 175.037 0.009 1 809 207 217 ASP CA C 55.181 0.025 1 810 207 217 ASP CB C 41.354 0.030 1 811 207 217 ASP N N 118.770 0.024 1 812 208 218 PHE H H 9.343 0.009 1 813 208 218 PHE C C 174.621 0.028 1 814 208 218 PHE CA C 56.342 0.026 1 815 208 218 PHE CB C 41.374 0.014 1 816 208 218 PHE N N 121.927 0.044 1 817 209 219 HIS H H 8.745 0.009 1 818 209 219 HIS C C 174.027 0.027 1 819 209 219 HIS CA C 55.158 0.060 1 820 209 219 HIS CB C 27.710 0.008 1 821 209 219 HIS N N 129.619 0.073 1 822 210 220 VAL H H 8.142 0.005 1 823 210 220 VAL C C 176.442 0.018 1 824 210 220 VAL CA C 65.461 0.035 1 825 210 220 VAL CB C 32.340 0.061 1 826 210 220 VAL N N 129.317 0.035 1 827 211 221 ASP H H 8.128 0.007 1 828 211 221 ASP C C 176.352 0.000 1 829 211 221 ASP CA C 53.034 0.032 1 830 211 221 ASP CB C 39.729 0.000 1 831 211 221 ASP N N 113.170 0.024 1 832 212 222 GLN C C 176.553 0.014 1 833 212 222 GLN CA C 58.387 0.026 1 834 212 222 GLN CB C 28.014 0.000 1 835 213 223 VAL H H 8.263 0.006 1 836 213 223 VAL C C 175.892 0.012 1 837 213 223 VAL CA C 60.829 0.032 1 838 213 223 VAL CB C 32.415 0.050 1 839 213 223 VAL N N 110.836 0.034 1 840 214 224 THR H H 8.063 0.007 1 841 214 224 THR C C 173.330 0.025 1 842 214 224 THR CA C 62.837 0.011 1 843 214 224 THR CB C 68.942 0.016 1 844 214 224 THR N N 121.172 0.016 1 845 215 225 THR H H 8.642 0.011 1 846 215 225 THR C C 174.122 0.010 1 847 215 225 THR CA C 60.425 0.026 1 848 215 225 THR CB C 70.768 0.007 1 849 215 225 THR N N 122.939 0.078 1 850 216 226 VAL H H 9.085 0.005 1 851 216 226 VAL C C 173.951 0.005 1 852 216 226 VAL CA C 58.340 0.024 1 853 216 226 VAL CB C 33.939 0.036 1 854 216 226 VAL N N 118.937 0.028 1 855 217 227 LYS H H 8.325 0.009 1 856 217 227 LYS C C 177.014 0.019 1 857 217 227 LYS CA C 53.839 0.050 1 858 217 227 LYS CB C 32.758 0.008 1 859 217 227 LYS N N 120.274 0.056 1 860 218 228 VAL H H 9.037 0.009 1 861 218 228 VAL C C 172.003 0.000 1 862 218 228 VAL CA C 56.850 0.020 1 863 218 228 VAL CB C 34.568 0.000 1 864 218 228 VAL N N 118.249 0.019 1 865 219 229 PRO C C 174.576 0.018 1 866 219 229 PRO CA C 62.357 0.027 1 867 219 229 PRO CB C 30.138 0.012 1 868 220 230 MET H H 8.736 0.005 1 869 220 230 MET C C 174.340 0.017 1 870 220 230 MET CA C 53.311 0.047 1 871 220 230 MET CB C 32.737 0.004 1 872 220 230 MET N N 127.254 0.055 1 873 221 231 MET H H 8.630 0.006 1 874 221 231 MET C C 175.807 0.012 1 875 221 231 MET CA C 54.371 0.038 1 876 221 231 MET CB C 30.829 0.054 1 877 221 231 MET N N 127.012 0.048 1 878 222 232 LYS H H 8.589 0.006 1 879 222 232 LYS C C 176.366 0.000 1 880 222 232 LYS CA C 54.517 0.035 1 881 222 232 LYS CB C 35.716 0.000 1 882 222 232 LYS N N 119.289 0.024 1 883 223 233 ARG H H 8.377 0.004 1 884 223 233 ARG C C 172.699 0.008 1 885 223 233 ARG CA C 56.975 0.014 1 886 223 233 ARG CB C 34.335 0.025 1 887 223 233 ARG N N 120.853 0.009 1 888 224 234 LEU H H 8.551 0.006 1 889 224 234 LEU C C 176.527 0.027 1 890 224 234 LEU CA C 53.432 0.032 1 891 224 234 LEU CB C 41.565 0.052 1 892 224 234 LEU N N 129.319 0.022 1 893 225 235 GLY H H 8.589 0.007 1 894 225 235 GLY C C 170.046 0.018 1 895 225 235 GLY CA C 45.028 0.034 1 896 225 235 GLY N N 112.742 0.038 1 897 226 236 MET H H 7.987 0.005 1 898 226 236 MET C C 176.095 0.014 1 899 226 236 MET CA C 52.600 0.060 1 900 226 236 MET CB C 31.050 0.000 1 901 226 236 MET N N 117.317 0.035 1 902 227 237 PHE H H 9.249 0.006 1 903 227 237 PHE C C 174.829 0.000 1 904 227 237 PHE CA C 56.798 0.010 1 905 227 237 PHE CB C 43.379 0.000 1 906 227 237 PHE N N 120.751 0.031 1 907 228 238 ASN C C 171.909 0.017 1 908 228 238 ASN CA C 52.058 0.040 1 909 228 238 ASN CB C 36.155 0.012 1 910 229 239 ILE H H 7.566 0.005 1 911 229 239 ILE C C 172.676 0.026 1 912 229 239 ILE CA C 57.846 0.041 1 913 229 239 ILE CB C 41.134 0.035 1 914 229 239 ILE N N 122.269 0.017 1 915 230 240 GLN H H 8.527 0.008 1 916 230 240 GLN C C 172.289 0.022 1 917 230 240 GLN CA C 54.021 0.050 1 918 230 240 GLN CB C 31.609 0.000 1 919 230 240 GLN N N 120.164 0.052 1 920 231 241 HIS H H 8.820 0.011 1 921 231 241 HIS C C 173.939 0.008 1 922 231 241 HIS CA C 56.800 0.034 1 923 231 241 HIS CB C 29.114 0.000 1 924 231 241 HIS N N 124.621 0.032 1 925 232 242 CYS H H 8.191 0.009 1 926 232 242 CYS C C 176.616 0.000 1 927 232 242 CYS CA C 58.919 0.084 1 928 232 242 CYS CB C 29.186 0.000 1 929 232 242 CYS N N 131.190 0.111 1 930 235 245 LEU C C 176.146 0.013 1 931 235 245 LEU CA C 54.507 0.067 1 932 235 245 LEU CB C 40.853 0.049 1 933 236 246 SER H H 7.901 0.005 1 934 236 246 SER C C 176.078 0.000 1 935 236 246 SER CA C 58.239 0.039 1 936 236 246 SER CB C 62.564 0.039 1 937 236 246 SER N N 117.104 0.060 1 938 237 247 SER H H 7.014 0.012 1 939 237 247 SER C C 173.644 0.000 1 940 237 247 SER CA C 57.181 0.021 1 941 237 247 SER CB C 69.030 0.000 1 942 237 247 SER N N 108.054 0.050 1 943 238 248 TRP H H 8.604 0.007 1 944 238 248 TRP C C 176.408 0.000 1 945 238 248 TRP CA C 58.503 0.012 1 946 238 248 TRP N N 124.013 0.021 1 947 239 249 VAL H H 9.447 0.009 1 948 239 249 VAL CA C 61.701 0.029 1 949 239 249 VAL N N 123.326 0.017 1 950 240 250 LEU H H 9.058 0.005 1 951 240 250 LEU C C 173.716 0.000 1 952 240 250 LEU CA C 52.511 0.055 1 953 240 250 LEU N N 130.059 0.008 1 954 241 251 LEU H H 8.934 0.007 1 955 241 251 LEU C C 176.603 0.000 1 956 241 251 LEU CA C 54.780 0.042 1 957 241 251 LEU N N 127.667 0.029 1 958 242 252 MET H H 9.453 0.005 1 959 242 252 MET C C 174.076 0.025 1 960 242 252 MET CA C 54.310 0.071 1 961 242 252 MET CB C 37.833 0.044 1 962 242 252 MET N N 121.695 0.017 1 963 243 253 LYS H H 8.867 0.007 1 964 243 253 LYS C C 177.643 0.003 1 965 243 253 LYS CA C 57.041 0.033 1 966 243 253 LYS CB C 33.110 0.015 1 967 243 253 LYS N N 123.274 0.022 1 968 244 254 TYR H H 8.840 0.012 1 969 244 254 TYR C C 176.978 0.013 1 970 244 254 TYR CA C 57.992 0.035 1 971 244 254 TYR CB C 39.013 0.017 1 972 244 254 TYR N N 123.311 0.029 1 973 245 255 LEU H H 9.016 0.007 1 974 245 255 LEU C C 177.485 0.013 1 975 245 255 LEU CA C 55.739 0.030 1 976 245 255 LEU CB C 40.514 0.022 1 977 245 255 LEU N N 120.727 0.033 1 978 246 256 GLY H H 8.589 0.011 1 979 246 256 GLY C C 174.395 0.004 1 980 246 256 GLY CA C 44.700 0.025 1 981 246 256 GLY N N 108.610 0.023 1 982 247 257 ASN H H 8.395 0.004 1 983 247 257 ASN C C 174.260 0.031 1 984 247 257 ASN CA C 53.791 0.041 1 985 247 257 ASN CB C 35.897 0.024 1 986 247 257 ASN N N 113.524 0.024 1 987 248 258 ALA H H 7.589 0.010 1 988 248 258 ALA C C 175.379 0.011 1 989 248 258 ALA CA C 51.344 0.035 1 990 248 258 ALA CB C 21.582 0.042 1 991 248 258 ALA N N 119.243 0.038 1 992 249 259 THR H H 9.005 0.005 1 993 249 259 THR C C 172.136 0.018 1 994 249 259 THR CA C 62.299 0.031 1 995 249 259 THR CB C 72.047 0.026 1 996 249 259 THR N N 117.692 0.024 1 997 250 260 ALA H H 9.382 0.003 1 998 250 260 ALA C C 176.882 0.013 1 999 250 260 ALA CA C 50.650 0.057 1 1000 250 260 ALA CB C 21.408 0.000 1 1001 250 260 ALA N N 130.304 0.029 1 1002 251 261 ILE H H 9.045 0.012 1 1003 251 261 ILE C C 176.021 0.000 1 1004 251 261 ILE CA C 59.477 0.011 1 1005 251 261 ILE N N 121.690 0.047 1 1006 252 262 PHE H H 9.483 0.006 1 1007 252 262 PHE CA C 55.875 0.012 1 1008 252 262 PHE N N 123.841 0.017 1 1009 253 263 PHE H H 9.897 0.005 1 1010 253 263 PHE C C 174.690 0.000 1 1011 253 263 PHE CA C 55.813 0.011 1 1012 253 263 PHE N N 118.562 0.012 1 1013 254 264 LEU H H 9.316 0.007 1 1014 254 264 LEU CA C 49.978 0.000 1 1015 254 264 LEU N N 125.782 0.011 1 1016 257 267 GLU CA C 61.774 0.010 1 1017 257 267 GLU CB C 32.078 0.000 1 1018 258 268 GLY C C 176.666 0.039 1 1019 258 268 GLY CA C 45.593 0.028 1 1020 259 269 LYS H H 8.252 0.007 1 1021 259 269 LYS C C 176.213 0.025 1 1022 259 269 LYS CA C 53.757 0.030 1 1023 259 269 LYS CB C 30.756 0.015 1 1024 259 269 LYS N N 116.923 0.013 1 1025 260 270 LEU H H 8.474 0.006 1 1026 260 270 LEU C C 177.143 0.008 1 1027 260 270 LEU CA C 59.727 0.019 1 1028 260 270 LEU CB C 39.662 0.033 1 1029 260 270 LEU N N 123.623 0.043 1 1030 261 271 GLN H H 8.300 0.006 1 1031 261 271 GLN C C 178.022 0.015 1 1032 261 271 GLN CA C 59.099 0.033 1 1033 261 271 GLN CB C 27.010 0.022 1 1034 261 271 GLN N N 116.184 0.032 1 1035 262 272 HIS H H 7.709 0.005 1 1036 262 272 HIS C C 176.041 0.014 1 1037 262 272 HIS CA C 59.851 0.043 1 1038 262 272 HIS CB C 30.189 0.029 1 1039 262 272 HIS N N 119.932 0.033 1 1040 263 273 LEU H H 8.161 0.007 1 1041 263 273 LEU C C 177.762 0.025 1 1042 263 273 LEU CA C 58.335 0.019 1 1043 263 273 LEU CB C 39.536 0.007 1 1044 263 273 LEU N N 119.772 0.028 1 1045 264 274 GLU H H 8.145 0.005 1 1046 264 274 GLU C C 178.696 0.018 1 1047 264 274 GLU CA C 59.324 0.036 1 1048 264 274 GLU CB C 29.225 0.028 1 1049 264 274 GLU N N 113.585 0.017 1 1050 265 275 ASN H H 8.098 0.006 1 1051 265 275 ASN C C 176.668 0.006 1 1052 265 275 ASN CA C 54.573 0.035 1 1053 265 275 ASN CB C 38.647 0.022 1 1054 265 275 ASN N N 115.408 0.032 1 1055 266 276 GLU H H 7.764 0.005 1 1056 266 276 GLU C C 176.854 0.026 1 1057 266 276 GLU CA C 55.489 0.027 1 1058 266 276 GLU CB C 30.016 0.007 1 1059 266 276 GLU N N 116.913 0.019 1 1060 267 277 LEU H H 6.704 0.007 1 1061 267 277 LEU C C 175.079 0.003 1 1062 267 277 LEU CA C 56.917 0.011 1 1063 267 277 LEU CB C 41.678 0.016 1 1064 267 277 LEU N N 117.102 0.054 1 1065 268 278 THR H H 6.296 0.006 1 1066 268 278 THR C C 174.369 0.001 1 1067 268 278 THR CA C 58.778 0.021 1 1068 268 278 THR CB C 72.767 0.000 1 1069 268 278 THR N N 108.821 0.017 1 1070 269 279 HIS H H 9.550 0.005 1 1071 269 279 HIS C C 177.432 0.034 1 1072 269 279 HIS CA C 59.800 0.015 1 1073 269 279 HIS N N 121.882 0.046 1 1074 270 280 ASP H H 8.410 0.009 1 1075 270 280 ASP C C 178.436 0.018 1 1076 270 280 ASP CA C 56.833 0.060 1 1077 270 280 ASP CB C 40.069 0.025 1 1078 270 280 ASP N N 118.092 0.059 1 1079 271 281 ILE H H 7.501 0.008 1 1080 271 281 ILE C C 177.493 0.016 1 1081 271 281 ILE CA C 64.034 0.016 1 1082 271 281 ILE CB C 37.609 0.035 1 1083 271 281 ILE N N 119.572 0.031 1 1084 272 282 ILE H H 7.459 0.009 1 1085 272 282 ILE C C 177.941 0.012 1 1086 272 282 ILE CA C 63.817 0.051 1 1087 272 282 ILE CB C 35.470 0.020 1 1088 272 282 ILE N N 118.718 0.037 1 1089 273 283 THR H H 8.283 0.007 1 1090 273 283 THR C C 176.469 0.011 1 1091 273 283 THR CA C 66.185 0.033 1 1092 273 283 THR CB C 67.887 0.027 1 1093 273 283 THR N N 112.918 0.034 1 1094 274 284 LYS H H 7.312 0.006 1 1095 274 284 LYS C C 180.335 0.023 1 1096 274 284 LYS CA C 58.471 0.027 1 1097 274 284 LYS CB C 30.369 0.016 1 1098 274 284 LYS N N 120.482 0.019 1 1099 275 285 PHE H H 7.599 0.006 1 1100 275 285 PHE C C 178.656 0.020 1 1101 275 285 PHE CA C 60.459 0.033 1 1102 275 285 PHE CB C 37.634 0.014 1 1103 275 285 PHE N N 117.792 0.067 1 1104 276 286 LEU H H 7.949 0.007 1 1105 276 286 LEU C C 178.322 0.015 1 1106 276 286 LEU CA C 56.584 0.025 1 1107 276 286 LEU CB C 41.003 0.019 1 1108 276 286 LEU N N 116.938 0.023 1 1109 277 287 GLU H H 7.431 0.005 1 1110 277 287 GLU C C 176.245 0.016 1 1111 277 287 GLU CA C 56.332 0.020 1 1112 277 287 GLU CB C 29.558 0.029 1 1113 277 287 GLU N N 115.742 0.019 1 1114 278 288 ASN H H 7.371 0.005 1 1115 278 288 ASN C C 175.452 0.000 1 1116 278 288 ASN CA C 53.516 0.030 1 1117 278 288 ASN CB C 39.560 0.000 1 1118 278 288 ASN N N 117.940 0.017 1 1119 279 289 GLU C C 176.199 0.009 1 1120 279 289 GLU CA C 55.456 0.029 1 1121 279 289 GLU CB C 29.978 0.016 1 1122 280 290 ASP H H 7.851 0.006 1 1123 280 290 ASP C C 175.670 0.021 1 1124 280 290 ASP CA C 54.835 0.021 1 1125 280 290 ASP CB C 40.911 0.031 1 1126 280 290 ASP N N 122.551 0.036 1 1127 281 291 ARG H H 8.363 0.005 1 1128 281 291 ARG C C 175.357 0.017 1 1129 281 291 ARG CA C 54.247 0.035 1 1130 281 291 ARG CB C 32.980 0.002 1 1131 281 291 ARG N N 119.787 0.014 1 1132 282 292 ARG H H 9.246 0.008 1 1133 282 292 ARG C C 174.755 0.013 1 1134 282 292 ARG CA C 54.226 0.023 1 1135 282 292 ARG CB C 32.406 0.011 1 1136 282 292 ARG N N 119.041 0.014 1 1137 283 293 SER H H 8.594 0.006 1 1138 283 293 SER C C 174.876 0.042 1 1139 283 293 SER CA C 57.689 0.046 1 1140 283 293 SER CB C 64.477 0.051 1 1141 283 293 SER N N 117.357 0.024 1 1142 284 294 ALA H H 9.137 0.007 1 1143 284 294 ALA C C 174.860 0.014 1 1144 284 294 ALA CA C 52.023 0.027 1 1145 284 294 ALA CB C 20.757 0.014 1 1146 284 294 ALA N N 120.529 0.032 1 1147 285 295 SER H H 8.527 0.005 1 1148 285 295 SER C C 174.869 0.000 1 1149 285 295 SER CA C 56.249 0.028 1 1150 285 295 SER CB C 62.846 0.062 1 1151 285 295 SER N N 114.969 0.017 1 1152 286 296 LEU H H 8.503 0.004 1 1153 286 296 LEU C C 176.016 0.027 1 1154 286 296 LEU CA C 53.531 0.022 1 1155 286 296 LEU CB C 44.320 0.020 1 1156 286 296 LEU N N 129.106 0.023 1 1157 287 297 HIS H H 8.300 0.011 1 1158 287 297 HIS C C 173.274 0.024 1 1159 287 297 HIS CA C 53.241 0.047 1 1160 287 297 HIS CB C 31.036 0.056 1 1161 287 297 HIS N N 124.447 0.080 1 1162 288 298 LEU H H 8.984 0.010 1 1163 288 298 LEU C C 172.808 0.000 1 1164 288 298 LEU CA C 51.038 0.026 1 1165 288 298 LEU CB C 46.163 0.000 1 1166 288 298 LEU N N 128.093 0.048 1 1167 289 299 PRO C C 174.772 0.026 1 1168 289 299 PRO CA C 63.619 0.060 1 1169 289 299 PRO CB C 30.873 0.002 1 1170 290 300 LYS H H 7.774 0.008 1 1171 290 300 LYS C C 176.280 0.007 1 1172 290 300 LYS CA C 55.730 0.020 1 1173 290 300 LYS CB C 32.251 0.006 1 1174 290 300 LYS N N 119.374 0.016 1 1175 291 301 LEU H H 7.921 0.005 1 1176 291 301 LEU C C 175.276 0.006 1 1177 291 301 LEU CA C 54.142 0.040 1 1178 291 301 LEU CB C 44.478 0.021 1 1179 291 301 LEU N N 120.526 0.037 1 1180 292 302 SER H H 8.532 0.009 1 1181 292 302 SER C C 173.077 0.025 1 1182 292 302 SER CA C 57.365 0.036 1 1183 292 302 SER CB C 64.143 0.016 1 1184 292 302 SER N N 117.849 0.040 1 1185 293 303 ILE H H 8.757 0.005 1 1186 293 303 ILE C C 172.390 0.012 1 1187 293 303 ILE CA C 58.921 0.022 1 1188 293 303 ILE CB C 40.773 0.010 1 1189 293 303 ILE N N 123.405 0.033 1 1190 294 304 THR H H 8.115 0.007 1 1191 294 304 THR C C 173.510 0.016 1 1192 294 304 THR CA C 59.514 0.019 1 1193 294 304 THR CB C 71.744 0.039 1 1194 294 304 THR N N 116.711 0.019 1 1195 295 305 GLY H H 9.340 0.009 1 1196 295 305 GLY C C 171.968 0.007 1 1197 295 305 GLY CA C 44.951 0.033 1 1198 295 305 GLY N N 113.706 0.041 1 1199 296 306 THR H H 7.789 0.005 1 1200 296 306 THR C C 173.612 0.017 1 1201 296 306 THR CA C 61.093 0.035 1 1202 296 306 THR CB C 69.771 0.073 1 1203 296 306 THR N N 119.343 0.010 1 1204 297 307 TYR H H 9.420 0.006 1 1205 297 307 TYR C C 174.293 0.000 1 1206 297 307 TYR CA C 57.278 0.017 1 1207 297 307 TYR CB C 42.286 0.000 1 1208 297 307 TYR N N 121.643 0.020 1 1209 301 311 SER C C 177.620 0.004 1 1210 301 311 SER CA C 60.223 0.045 1 1211 301 311 SER CB C 62.674 0.000 1 1212 302 312 VAL H H 8.047 0.008 1 1213 302 312 VAL C C 177.598 0.008 1 1214 302 312 VAL CA C 65.083 0.029 1 1215 302 312 VAL CB C 31.525 0.012 1 1216 302 312 VAL N N 117.847 0.022 1 1217 303 313 LEU H H 8.319 0.005 1 1218 303 313 LEU C C 180.411 0.025 1 1219 303 313 LEU CA C 56.422 0.018 1 1220 303 313 LEU CB C 37.543 0.026 1 1221 303 313 LEU N N 115.539 0.026 1 1222 304 314 GLY H H 7.429 0.006 1 1223 304 314 GLY C C 177.741 0.010 1 1224 304 314 GLY CA C 47.389 0.026 1 1225 304 314 GLY N N 108.633 0.019 1 1226 305 315 GLN H H 7.245 0.005 1 1227 305 315 GLN C C 176.670 0.016 1 1228 305 315 GLN CA C 56.950 0.015 1 1229 305 315 GLN CB C 27.558 0.013 1 1230 305 315 GLN N N 119.231 0.025 1 1231 306 316 LEU H H 7.117 0.005 1 1232 306 316 LEU C C 176.509 0.017 1 1233 306 316 LEU CA C 54.404 0.050 1 1234 306 316 LEU CB C 41.137 0.040 1 1235 306 316 LEU N N 118.251 0.019 1 1236 307 317 GLY H H 7.430 0.005 1 1237 307 317 GLY C C 174.120 0.024 1 1238 307 317 GLY CA C 44.798 0.030 1 1239 307 317 GLY N N 104.355 0.017 1 1240 308 318 ILE H H 7.895 0.006 1 1241 308 318 ILE C C 173.665 0.010 1 1242 308 318 ILE CA C 61.446 0.021 1 1243 308 318 ILE CB C 36.078 0.000 1 1244 308 318 ILE N N 120.980 0.025 1 1245 309 319 THR H H 8.723 0.005 1 1246 309 319 THR C C 177.594 0.000 1 1247 309 319 THR CA C 62.263 0.038 1 1248 309 319 THR CB C 70.876 0.000 1 1249 309 319 THR N N 115.457 0.030 1 1250 310 320 LYS C C 181.450 0.005 1 1251 310 320 LYS CA C 61.050 0.029 1 1252 310 320 LYS CB C 31.182 0.000 1 1253 311 321 VAL H H 8.479 0.004 1 1254 311 321 VAL C C 172.032 0.007 1 1255 311 321 VAL CA C 63.126 0.020 1 1256 311 321 VAL CB C 30.812 0.136 1 1257 311 321 VAL N N 116.058 0.030 1 1258 312 322 PHE H H 6.916 0.006 1 1259 312 322 PHE C C 175.631 0.004 1 1260 312 322 PHE CA C 56.782 0.027 1 1261 312 322 PHE CB C 40.111 0.079 1 1262 312 322 PHE N N 115.397 0.037 1 1263 313 323 SER H H 8.077 0.005 1 1264 313 323 SER C C 172.699 0.000 1 1265 313 323 SER CA C 57.441 0.017 1 1266 313 323 SER CB C 66.663 0.000 1 1267 313 323 SER N N 116.449 0.021 1 1268 314 324 ASN C C 174.786 0.000 1 1269 315 325 GLY H H 9.093 0.002 1 1270 315 325 GLY C C 173.716 0.017 1 1271 315 325 GLY CA C 44.259 0.058 1 1272 315 325 GLY N N 114.759 0.021 1 1273 316 326 ALA H H 7.560 0.006 1 1274 316 326 ALA C C 177.061 0.013 1 1275 316 326 ALA CA C 53.116 0.083 1 1276 316 326 ALA CB C 20.150 0.027 1 1277 316 326 ALA N N 124.380 0.021 1 1278 317 327 ASP H H 8.394 0.006 1 1279 317 327 ASP C C 175.684 0.022 1 1280 317 327 ASP CA C 52.692 0.039 1 1281 317 327 ASP CB C 39.419 0.028 1 1282 317 327 ASP N N 120.659 0.069 1 1283 318 328 LEU H H 8.531 0.008 1 1284 318 328 LEU C C 178.512 0.010 1 1285 318 328 LEU CA C 54.038 0.062 1 1286 318 328 LEU CB C 40.575 0.004 1 1287 318 328 LEU N N 127.972 0.030 1 1288 319 329 SER H H 8.610 0.004 1 1289 319 329 SER C C 175.139 0.004 1 1290 319 329 SER CA C 60.614 0.024 1 1291 319 329 SER CB C 62.647 0.020 1 1292 319 329 SER N N 114.677 0.033 1 1293 320 330 GLY H H 7.278 0.009 1 1294 320 330 GLY C C 172.564 0.016 1 1295 320 330 GLY CA C 45.103 0.038 1 1296 320 330 GLY N N 105.822 0.022 1 1297 321 331 VAL H H 7.703 0.005 1 1298 321 331 VAL C C 175.618 0.026 1 1299 321 331 VAL CA C 63.555 0.026 1 1300 321 331 VAL CB C 31.375 0.057 1 1301 321 331 VAL N N 118.833 0.036 1 1302 322 332 THR H H 7.111 0.006 1 1303 322 332 THR C C 171.872 0.026 1 1304 322 332 THR CA C 59.843 0.062 1 1305 322 332 THR CB C 69.509 0.038 1 1306 322 332 THR N N 109.398 0.028 1 1307 323 333 GLU H H 9.135 0.007 1 1308 323 333 GLU C C 177.612 0.008 1 1309 323 333 GLU CA C 56.311 0.055 1 1310 323 333 GLU CB C 30.197 0.014 1 1311 323 333 GLU N N 125.276 0.031 1 1312 324 334 GLU H H 8.142 0.003 1 1313 324 334 GLU C C 175.227 0.011 1 1314 324 334 GLU CA C 57.506 0.023 1 1315 324 334 GLU CB C 30.139 0.022 1 1316 324 334 GLU N N 117.623 0.020 1 1317 325 335 ALA H H 7.368 0.007 1 1318 325 335 ALA C C 173.974 0.000 1 1319 325 335 ALA CA C 49.752 0.027 1 1320 325 335 ALA CB C 19.472 0.000 1 1321 325 335 ALA N N 120.638 0.015 1 1322 326 336 PRO C C 174.896 0.014 1 1323 326 336 PRO CA C 62.296 0.016 1 1324 326 336 PRO CB C 30.864 0.009 1 1325 327 337 LEU H H 8.165 0.008 1 1326 327 337 LEU C C 173.287 0.010 1 1327 327 337 LEU CA C 54.154 0.029 1 1328 327 337 LEU CB C 44.739 0.020 1 1329 327 337 LEU N N 122.463 0.019 1 1330 328 338 LYS H H 6.830 0.005 1 1331 328 338 LYS C C 173.393 0.015 1 1332 328 338 LYS CA C 53.837 0.072 1 1333 328 338 LYS CB C 34.664 0.029 1 1334 328 338 LYS N N 115.695 0.019 1 1335 329 339 LEU H H 8.308 0.005 1 1336 329 339 LEU C C 175.216 0.015 1 1337 329 339 LEU CA C 53.852 0.054 1 1338 329 339 LEU CB C 40.822 0.042 1 1339 329 339 LEU N N 120.003 0.033 1 1340 330 340 SER H H 8.412 0.008 1 1341 330 340 SER C C 173.795 0.000 1 1342 330 340 SER CA C 60.839 0.054 1 1343 330 340 SER CB C 63.980 0.031 1 1344 330 340 SER N N 122.386 0.018 1 1345 331 341 LYS H H 7.291 0.006 1 1346 331 341 LYS C C 173.557 0.014 1 1347 331 341 LYS CA C 54.041 0.040 1 1348 331 341 LYS CB C 35.090 0.017 1 1349 331 341 LYS N N 118.350 0.023 1 1350 332 342 ALA H H 9.708 0.006 1 1351 332 342 ALA C C 174.661 0.020 1 1352 332 342 ALA CA C 50.468 0.029 1 1353 332 342 ALA CB C 21.736 0.041 1 1354 332 342 ALA N N 129.770 0.020 1 1355 333 343 VAL H H 8.578 0.005 1 1356 333 343 VAL C C 173.688 0.006 1 1357 333 343 VAL CA C 59.964 0.030 1 1358 333 343 VAL CB C 35.940 0.046 1 1359 333 343 VAL N N 122.282 0.009 1 1360 334 344 HIS H H 8.980 0.005 1 1361 334 344 HIS C C 173.187 0.019 1 1362 334 344 HIS CA C 53.336 0.036 1 1363 334 344 HIS CB C 33.298 0.009 1 1364 334 344 HIS N N 124.255 0.014 1 1365 335 345 LYS H H 8.447 0.006 1 1366 335 345 LYS C C 172.167 0.012 1 1367 335 345 LYS CA C 54.652 0.028 1 1368 335 345 LYS CB C 36.028 0.026 1 1369 335 345 LYS N N 126.905 0.011 1 1370 336 346 ALA H H 9.022 0.007 1 1371 336 346 ALA C C 176.700 0.009 1 1372 336 346 ALA CA C 49.466 0.039 1 1373 336 346 ALA CB C 22.214 0.013 1 1374 336 346 ALA N N 129.298 0.025 1 1375 337 347 VAL H H 8.760 0.005 1 1376 337 347 VAL C C 172.813 0.030 1 1377 337 347 VAL CA C 61.317 0.042 1 1378 337 347 VAL CB C 35.447 0.003 1 1379 337 347 VAL N N 121.860 0.032 1 1380 338 348 LEU H H 8.486 0.005 1 1381 338 348 LEU C C 175.031 0.011 1 1382 338 348 LEU CA C 53.131 0.067 1 1383 338 348 LEU CB C 45.277 0.053 1 1384 338 348 LEU N N 127.050 0.023 1 1385 339 349 THR H H 7.619 0.006 1 1386 339 349 THR C C 173.106 0.017 1 1387 339 349 THR CA C 61.189 0.020 1 1388 339 349 THR CB C 71.085 0.058 1 1389 339 349 THR N N 119.445 0.025 1 1390 340 350 ILE H H 9.203 0.009 1 1391 340 350 ILE C C 174.382 0.013 1 1392 340 350 ILE CA C 60.815 0.052 1 1393 340 350 ILE CB C 39.867 0.045 1 1394 340 350 ILE N N 126.168 0.014 1 1395 341 351 ASP H H 8.270 0.004 1 1396 341 351 ASP C C 175.255 0.011 1 1397 341 351 ASP CA C 53.011 0.036 1 1398 341 351 ASP CB C 41.120 0.022 1 1399 341 351 ASP N N 126.151 0.029 1 1400 342 352 GLU H H 9.772 0.012 1 1401 342 352 GLU C C 178.752 0.023 1 1402 342 352 GLU CA C 59.965 0.033 1 1403 342 352 GLU CB C 29.295 0.049 1 1404 342 352 GLU N N 115.945 0.041 1 1405 343 353 LYS H H 7.629 0.005 1 1406 343 353 LYS C C 177.315 0.010 1 1407 343 353 LYS CA C 58.126 0.052 1 1408 343 353 LYS CB C 33.032 0.001 1 1409 343 353 LYS N N 112.182 0.031 1 1410 344 354 GLY H H 8.504 0.013 1 1411 344 354 GLY C C 172.819 0.011 1 1412 344 354 GLY CA C 45.852 0.029 1 1413 344 354 GLY N N 107.524 0.060 1 1414 345 355 THR H H 8.016 0.010 1 1415 345 355 THR C C 173.858 0.000 1 1416 345 355 THR CA C 61.952 0.016 1 1417 345 355 THR CB C 69.374 0.000 1 1418 345 355 THR N N 115.883 0.069 1 1419 351 361 MET C C 175.776 0.045 1 1420 351 361 MET CA C 55.010 0.000 1 1421 352 362 PHE H H 8.174 0.009 1 1422 352 362 PHE C C 175.004 0.004 1 1423 352 362 PHE CA C 56.980 0.016 1 1424 352 362 PHE CB C 38.967 0.026 1 1425 352 362 PHE N N 121.427 0.066 1 1426 353 363 LEU H H 8.110 0.006 1 1427 353 363 LEU C C 176.496 0.026 1 1428 353 363 LEU CA C 54.398 0.033 1 1429 353 363 LEU CB C 41.442 0.023 1 1430 353 363 LEU N N 124.473 0.031 1 1431 354 364 GLU H H 8.266 0.008 1 1432 354 364 GLU C C 175.392 0.003 1 1433 354 364 GLU CA C 55.466 0.023 1 1434 354 364 GLU CB C 30.209 0.030 1 1435 354 364 GLU N N 122.962 0.053 1 1436 355 365 ALA H H 8.316 0.007 1 1437 355 365 ALA C C 176.996 0.007 1 1438 355 365 ALA CA C 51.556 0.036 1 1439 355 365 ALA CB C 18.273 0.006 1 1440 355 365 ALA N N 126.071 0.035 1 1441 356 366 ILE H H 8.162 0.008 1 1442 356 366 ILE CA C 57.989 0.020 1 1443 356 366 ILE CB C 37.699 0.000 1 1444 356 366 ILE N N 121.692 0.029 1 1445 357 367 PRO C C 176.075 0.008 1 1446 357 367 PRO CA C 58.024 0.016 1 1447 357 367 PRO CB C 28.857 0.020 1 1448 358 368 MET H H 8.379 0.005 1 1449 358 368 MET C C 175.831 0.020 1 1450 358 368 MET CA C 52.972 0.041 1 1451 358 368 MET CB C 38.896 0.023 1 1452 358 368 MET N N 116.724 0.029 1 1453 359 369 SER H H 7.213 0.006 1 1454 359 369 SER C C 172.679 0.017 1 1455 359 369 SER CA C 65.325 0.026 1 1456 359 369 SER CB C 68.837 0.000 1 1457 359 369 SER N N 117.407 0.029 1 1458 360 370 ILE H H 8.030 0.008 1 1459 360 370 ILE C C 174.341 0.000 1 1460 360 370 ILE CA C 60.946 0.055 1 1461 360 370 ILE N N 116.474 0.039 1 1462 362 372 PRO C C 175.195 0.005 1 1463 362 372 PRO CA C 62.176 0.024 1 1464 362 372 PRO CB C 31.071 0.008 1 1465 363 373 GLU H H 8.262 0.009 1 1466 363 373 GLU C C 175.580 0.017 1 1467 363 373 GLU CA C 54.636 0.046 1 1468 363 373 GLU CB C 30.089 0.031 1 1469 363 373 GLU N N 121.516 0.024 1 1470 364 374 VAL H H 8.535 0.006 1 1471 364 374 VAL C C 173.322 0.020 1 1472 364 374 VAL CA C 61.402 0.031 1 1473 364 374 VAL CB C 31.255 0.026 1 1474 364 374 VAL N N 128.178 0.026 1 1475 365 375 LYS H H 8.207 0.011 1 1476 365 375 LYS C C 174.993 0.005 1 1477 365 375 LYS CA C 54.148 0.033 1 1478 365 375 LYS CB C 33.110 0.011 1 1479 365 375 LYS N N 123.319 0.025 1 1480 366 376 PHE H H 8.786 0.009 1 1481 366 376 PHE C C 173.725 0.020 1 1482 366 376 PHE CA C 56.130 0.033 1 1483 366 376 PHE CB C 35.892 0.041 1 1484 366 376 PHE N N 126.520 0.036 1 1485 367 377 ASN H H 7.774 0.006 1 1486 367 377 ASN C C 172.022 0.011 1 1487 367 377 ASN CA C 50.217 0.036 1 1488 367 377 ASN CB C 37.710 0.000 1 1489 367 377 ASN N N 118.379 0.020 1 1490 368 378 LYS H H 7.413 0.006 1 1491 368 378 LYS CA C 53.057 0.034 1 1492 368 378 LYS CB C 30.709 0.000 1 1493 368 378 LYS N N 117.388 0.039 1 1494 369 379 PRO C C 175.111 0.000 1 1495 369 379 PRO CA C 65.005 0.002 1 1496 370 380 PHE H H 7.769 0.006 1 1497 370 380 PHE CA C 54.956 0.008 1 1498 370 380 PHE N N 113.825 0.018 1 1499 371 381 VAL H H 8.573 0.003 1 1500 371 381 VAL C C 174.218 0.000 1 1501 371 381 VAL CA C 60.508 0.009 1 1502 371 381 VAL N N 121.087 0.022 1 1503 372 382 PHE H H 9.357 0.005 1 1504 372 382 PHE C C 172.403 0.000 1 1505 372 382 PHE CA C 56.017 0.019 1 1506 372 382 PHE N N 123.841 0.051 1 1507 373 383 LEU H H 9.277 0.007 1 1508 373 383 LEU CA C 54.296 0.008 1 1509 373 383 LEU N N 120.536 0.016 1 1510 374 384 MET H H 8.419 0.009 1 1511 374 384 MET C C 174.802 0.020 1 1512 374 384 MET CA C 54.174 0.070 1 1513 374 384 MET CB C 35.202 0.013 1 1514 374 384 MET N N 119.037 0.091 1 1515 375 385 ILE H H 9.399 0.006 1 1516 375 385 ILE C C 175.252 0.013 1 1517 375 385 ILE CA C 56.806 0.027 1 1518 375 385 ILE CB C 39.434 0.010 1 1519 375 385 ILE N N 124.135 0.026 1 1520 376 386 GLU H H 8.665 0.006 1 1521 376 386 GLU C C 177.224 0.019 1 1522 376 386 GLU CA C 56.617 0.049 1 1523 376 386 GLU CB C 29.620 0.047 1 1524 376 386 GLU N N 128.959 0.034 1 1525 377 387 GLN H H 8.427 0.008 1 1526 377 387 GLN C C 176.901 0.013 1 1527 377 387 GLN CA C 59.247 0.039 1 1528 377 387 GLN CB C 28.845 0.133 1 1529 377 387 GLN N N 126.367 0.021 1 1530 378 388 ASN H H 8.968 0.006 1 1531 378 388 ASN C C 177.708 0.030 1 1532 378 388 ASN CA C 56.963 0.042 1 1533 378 388 ASN CB C 38.220 0.000 1 1534 378 388 ASN N N 116.600 0.028 1 1535 379 389 THR H H 9.938 0.010 1 1536 379 389 THR C C 175.961 0.003 1 1537 379 389 THR CA C 62.249 0.042 1 1538 379 389 THR CB C 71.824 0.023 1 1539 379 389 THR N N 109.405 0.033 1 1540 380 390 LYS H H 8.065 0.004 1 1541 380 390 LYS C C 174.873 0.006 1 1542 380 390 LYS CA C 57.219 0.055 1 1543 380 390 LYS CB C 27.930 0.016 1 1544 380 390 LYS N N 117.148 0.021 1 1545 381 391 SER H H 7.815 0.006 1 1546 381 391 SER C C 173.034 0.000 1 1547 381 391 SER CA C 57.523 0.017 1 1548 381 391 SER CB C 63.912 0.000 1 1549 381 391 SER N N 112.539 0.043 1 1550 382 392 PRO CA C 61.029 0.014 1 1551 383 393 LEU H H 8.460 0.004 1 1552 383 393 LEU CA C 56.698 0.030 1 1553 383 393 LEU N N 127.942 0.020 1 1554 384 394 PHE H H 7.631 0.008 1 1555 384 394 PHE C C 173.792 0.000 1 1556 384 394 PHE CA C 56.217 0.009 1 1557 384 394 PHE N N 108.249 0.019 1 1558 385 395 MET H H 8.149 0.005 1 1559 385 395 MET CA C 55.022 0.010 1 1560 385 395 MET N N 119.282 0.018 1 1561 386 396 GLY H H 8.512 0.008 1 1562 386 396 GLY CA C 45.811 0.017 1 1563 386 396 GLY N N 108.125 0.031 1 1564 387 397 LYS H H 9.581 0.006 1 1565 387 397 LYS CA C 55.531 0.016 1 1566 387 397 LYS N N 120.209 0.004 1 1567 388 398 VAL H H 8.429 0.003 1 1568 388 398 VAL CA C 60.710 0.046 1 1569 388 398 VAL CB C 30.562 0.000 1 1570 388 398 VAL N N 126.658 0.018 1 1571 389 399 VAL H H 8.576 0.006 1 1572 389 399 VAL C C 174.362 0.028 1 1573 389 399 VAL CA C 62.210 0.043 1 1574 389 399 VAL CB C 32.159 0.023 1 1575 389 399 VAL N N 122.578 0.071 1 1576 390 400 ASN H H 8.109 0.006 1 1577 390 400 ASN C C 175.003 0.000 1 1578 390 400 ASN CA C 49.061 0.029 1 1579 390 400 ASN CB C 39.068 0.000 1 1580 390 400 ASN N N 108.685 0.019 1 1581 391 401 PRO C C 175.416 0.004 1 1582 391 401 PRO CA C 63.177 0.069 1 1583 391 401 PRO CB C 31.433 0.054 1 1584 392 402 THR H H 7.767 0.005 1 1585 392 402 THR C C 174.118 0.007 1 1586 392 402 THR CA C 61.092 0.029 1 1587 392 402 THR CB C 69.150 0.050 1 1588 392 402 THR N N 106.951 0.028 1 1589 393 403 GLN H H 7.301 0.008 1 1590 393 403 GLN C C 174.957 0.014 1 1591 393 403 GLN CA C 56.011 0.016 1 1592 393 403 GLN CB C 29.091 0.017 1 1593 393 403 GLN N N 123.275 0.011 1 1594 394 404 LYS H H 8.237 0.010 1 1595 394 404 LYS C C 181.597 0.000 1 1596 394 404 LYS CA C 57.460 0.010 1 1597 394 404 LYS CB C 32.528 0.000 1 1598 394 404 LYS N N 130.859 0.052 1 stop_ save_ save_assigned_chem_shift_list_2 _Saveframe_category assigned_chemical_shifts _Details 'Uploaded chemical shifts already corrected for TROSY offset.' loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCA' stop_ loop_ _Sample_label $sample_2 stop_ _Sample_conditions_label $sample_conditions_2 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name AAT _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 3 13 PRO CA C 63.338 0.000 1 2 4 14 GLN H H 8.502 0.001 1 3 4 14 GLN CA C 55.538 0.002 1 4 4 14 GLN N N 119.024 0.007 1 5 5 15 GLY H H 8.218 0.001 1 6 5 15 GLY CA C 45.110 0.003 1 7 5 15 GLY N N 109.207 0.004 1 8 6 16 ASP H H 8.283 0.001 1 9 6 16 ASP CA C 54.184 0.000 1 10 6 16 ASP N N 120.742 0.000 1 11 7 17 ALA H H 8.241 0.001 1 12 7 17 ALA CA C 52.570 0.009 1 13 7 17 ALA N N 123.999 0.005 1 14 8 18 ALA H H 8.134 0.001 1 15 8 18 ALA CA C 52.323 0.003 1 16 8 18 ALA N N 121.864 0.003 1 17 9 19 GLN H H 8.134 0.001 1 18 9 19 GLN CA C 55.386 0.004 1 19 9 19 GLN N N 118.560 0.002 1 20 10 20 LYS H H 8.293 0.002 1 21 10 20 LYS CA C 55.943 0.007 1 22 10 20 LYS N N 122.524 0.015 1 23 11 21 THR H H 8.222 0.001 1 24 11 21 THR CA C 61.426 0.002 1 25 11 21 THR N N 115.279 0.004 1 26 12 22 ASP H H 8.443 0.001 1 27 12 22 ASP CA C 53.922 0.001 1 28 12 22 ASP N N 122.874 0.007 1 29 13 23 THR H H 8.212 0.002 1 30 13 23 THR CA C 61.401 0.000 1 31 13 23 THR N N 114.424 0.020 1 32 14 24 SER CA C 57.258 0.000 1 33 15 25 HIS H H 9.052 0.002 1 34 15 25 HIS CA C 52.964 0.002 1 35 15 25 HIS N N 123.268 0.013 1 36 16 26 HIS H H 9.004 0.001 1 37 16 26 HIS CA C 56.342 0.005 1 38 16 26 HIS N N 123.401 0.011 1 39 17 27 ASP H H 8.003 0.000 1 40 17 27 ASP CA C 59.371 0.015 1 41 17 27 ASP N N 120.021 0.008 1 42 18 28 GLN H H 7.926 0.001 1 43 18 28 GLN CA C 54.721 0.001 1 44 18 28 GLN N N 118.532 0.010 1 45 19 29 ASP H H 9.747 0.001 1 46 19 29 ASP CA C 51.970 0.000 1 47 19 29 ASP N N 113.880 0.038 1 48 26 36 ILE H H 7.765 0.001 1 49 26 36 ILE CA C 57.166 0.010 1 50 26 36 ILE N N 114.993 0.010 1 51 27 37 THR H H 8.404 0.002 1 52 27 37 THR CA C 58.662 0.000 1 53 27 37 THR N N 123.518 0.000 1 54 33 43 PHE H H 8.234 0.000 1 55 33 43 PHE CA C 60.476 0.026 1 56 33 43 PHE N N 121.938 0.001 1 57 34 44 ALA H H 8.438 0.013 1 58 34 44 ALA CA C 55.238 0.003 1 59 34 44 ALA N N 120.540 0.067 1 60 35 45 PHE H H 8.011 0.000 1 61 35 45 PHE N N 114.600 0.014 1 62 36 46 SER H H 8.466 0.000 1 63 36 46 SER CA C 61.683 0.000 1 64 36 46 SER N N 117.132 0.001 1 65 37 47 LEU H H 8.352 0.001 1 66 37 47 LEU CA C 57.725 0.006 1 67 37 47 LEU N N 123.741 0.013 1 68 38 48 TYR H H 8.674 0.001 1 69 38 48 TYR CA C 62.966 0.004 1 70 38 48 TYR N N 118.809 0.031 1 71 39 49 ARG H H 8.432 0.003 1 72 39 49 ARG CA C 59.825 0.005 1 73 39 49 ARG N N 115.797 0.013 1 74 40 50 GLN H H 7.536 0.003 1 75 40 50 GLN CA C 57.760 0.007 1 76 40 50 GLN N N 118.025 0.013 1 77 41 51 LEU H H 7.888 0.003 1 78 41 51 LEU CA C 57.105 0.015 1 79 41 51 LEU N N 119.665 0.014 1 80 42 52 ALA H H 8.770 0.004 1 81 42 52 ALA CA C 53.409 0.000 1 82 42 52 ALA N N 121.972 0.019 1 83 48 58 THR H H 7.564 0.001 1 84 48 58 THR CA C 59.960 0.003 1 85 48 58 THR N N 114.156 0.008 1 86 49 59 ASN H H 8.792 0.001 1 87 49 59 ASN CA C 53.503 0.022 1 88 49 59 ASN N N 121.285 0.027 1 89 50 60 ILE H H 9.112 0.004 1 90 50 60 ILE CA C 60.448 0.001 1 91 50 60 ILE N N 122.799 0.011 1 92 51 61 PHE H H 8.161 0.001 1 93 51 61 PHE CA C 59.379 0.000 1 94 51 61 PHE N N 123.852 0.007 1 95 54 64 PRO CA C 64.248 0.000 1 96 55 65 VAL H H 6.357 0.001 1 97 55 65 VAL CA C 65.505 0.000 1 98 55 65 VAL N N 110.548 0.008 1 99 59 69 THR H H 7.588 0.002 1 100 59 69 THR CA C 65.799 0.002 1 101 59 69 THR N N 120.496 0.013 1 102 60 70 ALA H H 8.231 0.001 1 103 60 70 ALA CA C 54.765 0.000 1 104 60 70 ALA N N 118.852 0.013 1 105 61 71 PHE H H 7.633 0.001 1 106 61 71 PHE CA C 61.616 0.033 1 107 61 71 PHE N N 114.209 0.000 1 108 62 72 ALA H H 8.636 0.004 1 109 62 72 ALA CA C 55.062 0.000 1 110 62 72 ALA N N 126.592 0.016 1 111 63 73 MET H H 7.725 0.001 1 112 63 73 MET CA C 58.542 0.004 1 113 63 73 MET N N 120.383 0.004 1 114 64 74 LEU H H 7.614 0.001 1 115 64 74 LEU CA C 56.815 0.000 1 116 64 74 LEU N N 117.879 0.013 1 117 66 76 LEU H H 7.764 0.001 1 118 66 76 LEU CA C 57.063 0.000 1 119 66 76 LEU N N 124.109 0.014 1 120 67 77 GLY H H 8.523 0.003 1 121 67 77 GLY CA C 44.254 0.000 1 122 67 77 GLY N N 106.201 0.020 1 123 68 78 THR H H 7.564 0.000 1 124 68 78 THR CA C 58.491 0.002 1 125 68 78 THR N N 108.822 0.005 1 126 69 79 LYS H H 7.548 0.003 1 127 69 79 LYS CA C 53.440 0.008 1 128 69 79 LYS N N 115.985 0.005 1 129 70 80 ALA H H 8.707 0.001 1 130 70 80 ALA CA C 52.775 0.007 1 131 70 80 ALA N N 122.313 0.015 1 132 71 81 ASP H H 8.762 0.002 1 133 71 81 ASP CA C 56.529 0.000 1 134 71 81 ASP N N 119.409 0.010 1 135 73 83 HIS H H 6.801 0.001 1 136 73 83 HIS CA C 58.618 0.010 1 137 73 83 HIS N N 120.715 0.012 1 138 74 84 ASP H H 8.652 0.001 1 139 74 84 ASP CA C 57.005 0.000 1 140 74 84 ASP N N 119.973 0.016 1 141 75 85 GLU H H 8.055 0.000 1 142 75 85 GLU CA C 58.922 0.015 1 143 75 85 GLU N N 117.391 0.004 1 144 76 86 ILE H H 7.162 0.001 1 145 76 86 ILE CA C 65.529 0.000 1 146 76 86 ILE N N 116.495 0.013 1 147 77 87 LEU H H 6.941 0.001 1 148 77 87 LEU CA C 57.746 0.000 1 149 77 87 LEU N N 114.895 0.004 1 150 78 88 GLU H H 8.511 0.003 1 151 78 88 GLU CA C 58.674 0.000 1 152 78 88 GLU N N 117.699 0.007 1 153 79 89 GLY H H 8.289 0.002 1 154 79 89 GLY CA C 45.893 0.001 1 155 79 89 GLY N N 111.528 0.013 1 156 80 90 LEU H H 7.185 0.000 1 157 80 90 LEU CA C 53.911 0.000 1 158 80 90 LEU N N 118.656 0.047 1 159 81 91 ASN H H 7.720 0.004 1 160 81 91 ASN CA C 54.338 0.000 1 161 81 91 ASN N N 107.179 0.005 1 162 82 92 PHE H H 7.762 0.001 1 163 82 92 PHE CA C 57.619 0.005 1 164 82 92 PHE N N 115.267 0.019 1 165 83 93 ASN H H 8.552 0.002 1 166 83 93 ASN CA C 51.407 0.017 1 167 83 93 ASN N N 119.845 0.006 1 168 84 94 LEU H H 8.969 0.001 1 169 84 94 LEU CA C 56.089 0.002 1 170 84 94 LEU N N 125.710 0.010 1 171 85 95 THR H H 8.189 0.001 1 172 85 95 THR CA C 63.640 0.008 1 173 85 95 THR N N 111.151 0.010 1 174 86 96 GLU H H 7.613 0.001 1 175 86 96 GLU CA C 56.726 0.000 1 176 86 96 GLU N N 120.407 0.017 1 177 87 97 ILE H H 7.921 0.001 1 178 87 97 ILE CA C 56.813 0.000 1 179 87 97 ILE N N 119.875 0.008 1 180 88 98 PRO CA C 61.478 0.000 1 181 89 99 GLU H H 8.838 0.001 1 182 89 99 GLU CA C 59.692 0.004 1 183 89 99 GLU N N 123.920 0.005 1 184 90 100 ALA H H 8.835 0.002 1 185 90 100 ALA CA C 55.056 0.000 1 186 90 100 ALA N N 117.897 0.012 1 187 91 101 GLN H H 7.346 0.001 1 188 91 101 GLN CA C 57.820 0.009 1 189 91 101 GLN N N 114.103 0.002 1 190 92 102 ILE H H 7.384 0.002 1 191 92 102 ILE CA C 65.126 0.019 1 192 92 102 ILE N N 122.795 0.013 1 193 93 103 HIS H H 7.233 0.003 1 194 93 103 HIS CA C 59.490 0.008 1 195 93 103 HIS N N 115.642 0.005 1 196 94 104 GLU H H 8.027 0.001 1 197 94 104 GLU CA C 59.217 0.007 1 198 94 104 GLU N N 117.969 0.003 1 199 95 105 GLY H H 7.997 0.001 1 200 95 105 GLY CA C 46.782 0.000 1 201 95 105 GLY N N 107.562 0.003 1 202 97 107 GLN H H 8.722 0.002 1 203 97 107 GLN CA C 59.175 0.010 1 204 97 107 GLN N N 119.757 0.018 1 205 98 108 GLU H H 8.077 0.001 1 206 98 108 GLU CA C 58.552 0.006 1 207 98 108 GLU N N 119.730 0.006 1 208 99 109 LEU H H 7.991 0.001 1 209 99 109 LEU CA C 57.965 0.019 1 210 99 109 LEU N N 122.167 0.011 1 211 100 110 LEU H H 8.608 0.001 1 212 100 110 LEU CA C 57.760 0.002 1 213 100 110 LEU N N 118.876 0.025 1 214 101 111 ARG H H 8.050 0.000 1 215 101 111 ARG CA C 59.240 0.006 1 216 101 111 ARG N N 119.322 0.035 1 217 102 112 THR H H 7.818 0.001 1 218 102 112 THR CA C 65.617 0.000 1 219 102 112 THR N N 114.147 0.004 1 220 103 113 LEU H H 7.949 0.000 1 221 103 113 LEU CA C 56.232 0.003 1 222 103 113 LEU N N 119.717 0.000 1 223 104 114 ASN H H 7.702 0.002 1 224 104 114 ASN CA C 52.565 0.012 1 225 104 114 ASN N N 115.321 0.006 1 226 105 115 GLN H H 7.519 0.001 1 227 105 115 GLN CA C 54.086 0.000 1 228 105 115 GLN N N 121.415 0.013 1 229 111 121 GLN CA C 55.223 0.000 1 230 112 122 LEU H H 8.232 0.004 1 231 112 122 LEU CA C 54.338 0.000 1 232 112 122 LEU N N 124.805 0.009 1 233 113 123 THR H H 8.782 0.001 1 234 113 123 THR CA C 61.143 0.025 1 235 113 123 THR N N 121.880 0.001 1 236 114 124 THR H H 8.993 0.003 1 237 114 124 THR CA C 58.446 0.008 1 238 114 124 THR N N 120.640 0.010 1 239 115 125 GLY H H 7.248 0.002 1 240 115 125 GLY CA C 44.943 0.005 1 241 115 125 GLY N N 112.281 0.001 1 242 116 126 ASN H H 8.239 0.000 1 243 116 126 ASN CA C 52.715 0.003 1 244 116 126 ASN N N 115.221 0.004 1 245 117 127 GLY H H 9.458 0.000 1 246 117 127 GLY CA C 44.615 0.004 1 247 117 127 GLY N N 108.791 0.005 1 248 118 128 LEU H H 8.474 0.003 1 249 118 128 LEU CA C 53.651 0.001 1 250 118 128 LEU N N 125.736 0.010 1 251 119 129 PHE H H 9.419 0.001 1 252 119 129 PHE CA C 56.598 0.003 1 253 119 129 PHE N N 120.600 0.008 1 254 120 130 LEU H H 9.072 0.001 1 255 120 130 LEU CA C 53.559 0.001 1 256 120 130 LEU N N 125.989 0.005 1 257 121 131 SER H H 8.159 0.001 1 258 121 131 SER CA C 58.939 0.010 1 259 121 131 SER N N 114.086 0.001 1 260 122 132 GLU H H 8.091 0.003 1 261 122 132 GLU CA C 57.125 0.000 1 262 122 132 GLU N N 124.287 0.008 1 263 123 133 GLY CA C 44.758 0.000 1 264 124 134 LEU H H 7.284 0.000 1 265 124 134 LEU CA C 53.616 0.007 1 266 124 134 LEU N N 119.836 0.009 1 267 125 135 LYS H H 8.625 0.001 1 268 125 135 LYS CA C 55.228 0.005 1 269 125 135 LYS N N 123.782 0.014 1 270 126 136 LEU H H 8.927 0.003 1 271 126 136 LEU CA C 53.816 0.006 1 272 126 136 LEU N N 131.410 0.014 1 273 127 137 VAL H H 8.260 0.001 1 274 127 137 VAL CA C 62.583 0.004 1 275 127 137 VAL N N 124.278 0.015 1 276 128 138 ASP H H 8.466 0.001 1 277 128 138 ASP CA C 57.896 0.002 1 278 128 138 ASP N N 129.054 0.009 1 279 129 139 LYS H H 8.380 0.002 1 280 129 139 LYS CA C 58.739 0.001 1 281 129 139 LYS N N 119.157 0.007 1 282 130 140 PHE H H 6.864 0.001 1 283 130 140 PHE CA C 60.516 0.000 1 284 130 140 PHE N N 117.374 0.026 1 285 131 141 LEU H H 7.120 0.001 1 286 131 141 LEU CA C 56.963 0.001 1 287 131 141 LEU N N 115.552 0.003 1 288 132 142 GLU H H 8.152 0.002 1 289 132 142 GLU CA C 58.551 0.015 1 290 132 142 GLU N N 117.793 0.007 1 291 133 143 ASP H H 8.523 0.001 1 292 133 143 ASP CA C 57.476 0.016 1 293 133 143 ASP N N 121.381 0.026 1 294 134 144 VAL H H 8.328 0.003 1 295 134 144 VAL CA C 65.924 0.000 1 296 134 144 VAL N N 115.767 0.005 1 297 135 145 LYS H H 7.068 0.001 1 298 135 145 LYS CA C 58.636 0.000 1 299 135 145 LYS N N 119.777 0.008 1 300 136 146 LYS H H 8.501 0.000 1 301 136 146 LYS CA C 58.654 0.000 1 302 136 146 LYS N N 118.476 0.002 1 303 137 147 LEU H H 8.322 0.001 1 304 137 147 LEU CA C 56.033 0.000 1 305 137 147 LEU N N 115.278 0.005 1 306 140 150 SER H H 8.002 0.003 1 307 140 150 SER CA C 58.161 0.008 1 308 140 150 SER N N 113.903 0.009 1 309 141 151 GLU H H 7.939 0.002 1 310 141 151 GLU CA C 54.959 0.000 1 311 141 151 GLU N N 119.410 0.020 1 312 142 152 ALA H H 7.799 0.001 1 313 142 152 ALA CA C 49.382 0.016 1 314 142 152 ALA N N 121.999 0.009 1 315 143 153 PHE H H 8.698 0.001 1 316 143 153 PHE CA C 55.911 0.002 1 317 143 153 PHE N N 120.111 0.014 1 318 144 154 THR H H 8.438 0.001 1 319 144 154 THR CA C 59.216 0.002 1 320 144 154 THR N N 113.238 0.005 1 321 145 155 VAL H H 8.459 0.001 1 322 145 155 VAL CA C 58.683 0.000 1 323 145 155 VAL N N 117.634 0.003 1 324 146 156 ASN H H 8.528 0.001 1 325 146 156 ASN CA C 50.841 0.003 1 326 146 156 ASN N N 120.880 0.006 1 327 147 157 PHE H H 8.680 0.002 1 328 147 157 PHE CA C 60.343 0.006 1 329 147 157 PHE N N 124.820 0.002 1 330 148 158 GLY H H 8.280 0.000 1 331 148 158 GLY CA C 46.192 0.001 1 332 148 158 GLY N N 105.521 0.015 1 333 149 159 ASP H H 6.913 0.000 1 334 149 159 ASP CA C 51.692 0.002 1 335 149 159 ASP N N 119.910 0.002 1 336 150 160 THR H H 8.139 0.001 1 337 150 160 THR CA C 65.932 0.000 1 338 150 160 THR N N 115.528 0.012 1 339 151 161 GLU H H 8.284 0.002 1 340 151 161 GLU CA C 58.596 0.003 1 341 151 161 GLU N N 120.016 0.007 1 342 152 162 GLU H H 7.732 0.002 1 343 152 162 GLU CA C 58.133 0.014 1 344 152 162 GLU N N 121.916 0.007 1 345 153 163 ALA H H 8.518 0.001 1 346 153 163 ALA CA C 54.939 0.010 1 347 153 163 ALA N N 122.410 0.006 1 348 154 164 LYS H H 7.927 0.001 1 349 154 164 LYS CA C 59.940 0.004 1 350 154 164 LYS N N 116.103 0.012 1 351 155 165 LYS H H 7.418 0.001 1 352 155 165 LYS CA C 59.043 0.000 1 353 155 165 LYS N N 118.136 0.010 1 354 156 166 GLN H H 8.109 0.001 1 355 156 166 GLN CA C 58.905 0.015 1 356 156 166 GLN N N 117.913 0.007 1 357 157 167 ILE H H 7.821 0.002 1 358 157 167 ILE CA C 64.746 0.016 1 359 157 167 ILE N N 120.031 0.005 1 360 158 168 ASN H H 8.385 0.001 1 361 158 168 ASN CA C 55.493 0.000 1 362 158 168 ASN N N 117.539 0.026 1 363 159 169 ASP H H 9.094 0.000 1 364 159 169 ASP CA C 57.042 0.011 1 365 159 169 ASP N N 122.336 0.000 1 366 160 170 TYR H H 7.670 0.002 1 367 160 170 TYR CA C 60.756 0.000 1 368 160 170 TYR N N 120.657 0.008 1 369 161 171 VAL H H 7.663 0.002 1 370 161 171 VAL CA C 65.309 0.007 1 371 161 171 VAL N N 119.879 0.003 1 372 162 172 GLU H H 8.648 0.002 1 373 162 172 GLU CA C 59.815 0.012 1 374 162 172 GLU N N 124.022 0.016 1 375 163 173 LYS H H 8.469 0.002 1 376 163 173 LYS CA C 58.801 0.000 1 377 163 173 LYS N N 118.986 0.011 1 378 164 174 GLY H H 8.053 0.001 1 379 164 174 GLY CA C 45.888 0.000 1 380 164 174 GLY N N 107.807 0.002 1 381 165 175 THR H H 7.440 0.001 1 382 165 175 THR CA C 60.277 0.002 1 383 165 175 THR N N 106.228 0.001 1 384 166 176 GLN H H 7.844 0.001 1 385 166 176 GLN CA C 56.525 0.016 1 386 166 176 GLN N N 119.607 0.007 1 387 167 177 GLY H H 8.930 0.003 1 388 167 177 GLY CA C 44.623 0.009 1 389 167 177 GLY N N 103.517 0.012 1 390 168 178 LYS H H 7.365 0.000 1 391 168 178 LYS CA C 57.184 0.000 1 392 168 178 LYS N N 118.220 0.028 1 393 169 179 ILE H H 7.651 0.001 1 394 169 179 ILE CA C 60.266 0.003 1 395 169 179 ILE N N 117.001 0.002 1 396 170 180 VAL H H 7.859 0.002 1 397 170 180 VAL CA C 59.161 0.008 1 398 170 180 VAL N N 120.134 0.009 1 399 171 181 ASP H H 8.979 0.003 1 400 171 181 ASP CA C 54.284 0.000 1 401 171 181 ASP N N 122.149 0.015 1 402 172 182 LEU H H 7.273 0.001 1 403 172 182 LEU CA C 58.526 0.000 1 404 172 182 LEU N N 118.143 0.013 1 405 173 183 VAL H H 9.601 0.001 1 406 173 183 VAL CA C 61.711 0.000 1 407 173 183 VAL N N 117.316 0.000 1 408 176 186 LEU CA C 55.190 0.000 1 409 177 187 ASP H H 8.417 0.002 1 410 177 187 ASP CA C 54.281 0.006 1 411 177 187 ASP N N 121.510 0.018 1 412 178 188 ARG H H 8.313 0.001 1 413 178 188 ARG CA C 55.525 0.004 1 414 178 188 ARG N N 119.657 0.006 1 415 179 189 ASP H H 8.266 0.001 1 416 179 189 ASP CA C 54.123 0.000 1 417 179 189 ASP N N 120.563 0.017 1 418 182 192 PHE H H 7.030 0.000 1 419 182 192 PHE CA C 53.752 0.000 1 420 182 192 PHE N N 120.913 0.018 1 421 183 193 ALA H H 10.062 0.002 1 422 183 193 ALA CA C 49.377 0.003 1 423 183 193 ALA N N 129.968 0.000 1 424 184 194 LEU H H 8.676 0.001 1 425 184 194 LEU CA C 53.662 0.011 1 426 184 194 LEU N N 123.280 0.008 1 427 185 195 VAL H H 9.378 0.001 1 428 185 195 VAL CA C 59.290 0.005 1 429 185 195 VAL N N 120.435 0.003 1 430 186 196 ASN H H 9.020 0.002 1 431 186 196 ASN CA C 53.092 0.005 1 432 186 196 ASN N N 124.551 0.017 1 433 187 197 TYR H H 8.215 0.001 1 434 187 197 TYR CA C 53.955 0.000 1 435 187 197 TYR N N 121.230 0.014 1 436 188 198 ILE H H 8.719 0.001 1 437 188 198 ILE CA C 59.796 0.009 1 438 188 198 ILE N N 118.419 0.004 1 439 189 199 PHE H H 9.283 0.002 1 440 189 199 PHE CA C 55.473 0.000 1 441 189 199 PHE N N 127.271 0.015 1 442 190 200 PHE H H 8.103 0.001 1 443 190 200 PHE CA C 55.683 0.000 1 444 190 200 PHE N N 126.058 0.017 1 445 191 201 LYS H H 7.830 0.001 1 446 191 201 LYS CA C 55.714 0.000 1 447 191 201 LYS N N 127.589 0.008 1 448 192 202 GLY H H 7.473 0.006 1 449 192 202 GLY CA C 44.134 0.000 1 450 192 202 GLY N N 113.017 0.019 1 451 193 203 LYS H H 8.912 0.005 1 452 193 203 LYS CA C 53.946 0.008 1 453 193 203 LYS N N 120.589 0.021 1 454 194 204 TRP H H 8.679 0.003 1 455 194 204 TRP CA C 56.386 0.004 1 456 194 204 TRP N N 124.324 0.011 1 457 195 205 GLU H H 8.319 0.000 1 458 195 205 GLU CA C 59.395 0.000 1 459 195 205 GLU N N 119.817 0.010 1 460 196 206 ARG H H 8.287 0.003 1 461 196 206 ARG CA C 51.316 0.000 1 462 196 206 ARG N N 116.844 0.022 1 463 197 207 PRO CA C 62.397 0.000 1 464 198 208 PHE H H 8.668 0.003 1 465 198 208 PHE CA C 56.818 0.006 1 466 198 208 PHE N N 117.132 0.006 1 467 199 209 GLU H H 9.644 0.003 1 468 199 209 GLU CA C 55.053 0.003 1 469 199 209 GLU N N 120.877 0.007 1 470 200 210 VAL H H 8.702 0.002 1 471 200 210 VAL CA C 65.134 0.000 1 472 200 210 VAL N N 128.561 0.013 1 473 201 211 LYS H H 8.886 0.002 1 474 201 211 LYS CA C 57.821 0.000 1 475 201 211 LYS N N 118.140 0.004 1 476 202 212 ASP H H 7.675 0.000 1 477 202 212 ASP CA C 54.279 0.000 1 478 202 212 ASP N N 117.987 0.015 1 479 203 213 THR H H 7.612 0.002 1 480 203 213 THR CA C 62.475 0.005 1 481 203 213 THR N N 120.417 0.047 1 482 204 214 GLU H H 8.422 0.002 1 483 204 214 GLU CA C 54.232 0.006 1 484 204 214 GLU N N 126.866 0.006 1 485 205 215 GLU H H 8.797 0.001 1 486 205 215 GLU CA C 56.781 0.003 1 487 205 215 GLU N N 123.403 0.007 1 488 206 216 GLU H H 8.884 0.001 1 489 206 216 GLU CA C 54.036 0.007 1 490 206 216 GLU N N 123.332 0.006 1 491 207 217 ASP H H 8.327 0.002 1 492 207 217 ASP CA C 55.133 0.002 1 493 207 217 ASP N N 118.799 0.003 1 494 208 218 PHE H H 9.386 0.002 1 495 208 218 PHE CA C 56.343 0.008 1 496 208 218 PHE N N 122.169 0.007 1 497 209 219 HIS H H 8.769 0.003 1 498 209 219 HIS CA C 54.963 0.003 1 499 209 219 HIS N N 129.190 0.003 1 500 210 220 VAL H H 8.150 0.002 1 501 210 220 VAL CA C 65.505 0.000 1 502 210 220 VAL N N 129.332 0.014 1 503 211 221 ASP H H 8.104 0.002 1 504 211 221 ASP CA C 53.012 0.000 1 505 211 221 ASP N N 113.145 0.012 1 506 212 222 GLN CA C 58.405 0.000 1 507 213 223 VAL H H 8.264 0.000 1 508 213 223 VAL CA C 60.899 0.004 1 509 213 223 VAL N N 110.972 0.001 1 510 214 224 THR H H 8.108 0.001 1 511 214 224 THR CA C 62.866 0.002 1 512 214 224 THR N N 121.221 0.016 1 513 215 225 THR H H 8.673 0.000 1 514 215 225 THR CA C 60.452 0.004 1 515 215 225 THR N N 123.244 0.005 1 516 216 226 VAL H H 9.069 0.001 1 517 216 226 VAL CA C 58.358 0.002 1 518 216 226 VAL N N 119.078 0.008 1 519 217 227 LYS H H 8.358 0.002 1 520 217 227 LYS CA C 53.980 0.004 1 521 217 227 LYS N N 120.696 0.020 1 522 218 228 VAL H H 8.989 0.001 1 523 218 228 VAL CA C 56.869 0.000 1 524 218 228 VAL N N 118.291 0.002 1 525 219 229 PRO CA C 62.401 0.000 1 526 220 230 MET H H 8.746 0.001 1 527 220 230 MET CA C 53.327 0.010 1 528 220 230 MET N N 126.962 0.010 1 529 221 231 MET H H 8.666 0.002 1 530 221 231 MET CA C 54.328 0.000 1 531 221 231 MET N N 126.735 0.013 1 532 222 232 LYS H H 8.613 0.000 1 533 222 232 LYS CA C 54.493 0.000 1 534 222 232 LYS N N 119.404 0.005 1 535 223 233 ARG H H 8.304 0.001 1 536 223 233 ARG CA C 56.909 0.003 1 537 223 233 ARG N N 120.150 0.009 1 538 224 234 LEU H H 8.560 0.001 1 539 224 234 LEU CA C 53.438 0.000 1 540 224 234 LEU N N 129.235 0.011 1 541 225 235 GLY H H 8.579 0.000 1 542 225 235 GLY CA C 45.063 0.006 1 543 225 235 GLY N N 112.570 0.001 1 544 226 236 MET H H 7.970 0.003 1 545 226 236 MET CA C 52.579 0.000 1 546 226 236 MET N N 117.280 0.010 1 547 227 237 PHE H H 9.262 0.001 1 548 227 237 PHE CA C 56.770 0.000 1 549 227 237 PHE N N 120.686 0.012 1 550 228 238 ASN CA C 52.054 0.000 1 551 229 239 ILE H H 7.569 0.001 1 552 229 239 ILE CA C 57.836 0.000 1 553 229 239 ILE N N 122.337 0.013 1 554 230 240 GLN H H 8.540 0.001 1 555 230 240 GLN CA C 54.037 0.000 1 556 230 240 GLN N N 120.288 0.007 1 557 239 249 VAL H H 9.476 0.001 1 558 239 249 VAL CA C 61.470 0.000 1 559 239 249 VAL N N 123.298 0.012 1 560 240 250 LEU H H 9.062 0.002 1 561 240 250 LEU CA C 52.525 0.005 1 562 240 250 LEU N N 130.017 0.018 1 563 241 251 LEU H H 8.933 0.001 1 564 241 251 LEU CA C 54.787 0.002 1 565 241 251 LEU N N 127.929 0.013 1 566 242 252 MET H H 9.446 0.001 1 567 242 252 MET CA C 54.393 0.010 1 568 242 252 MET N N 121.625 0.022 1 569 243 253 LYS H H 8.886 0.000 1 570 243 253 LYS CA C 57.070 0.000 1 571 243 253 LYS N N 123.199 0.025 1 572 244 254 TYR H H 8.836 0.003 1 573 244 254 TYR CA C 57.975 0.000 1 574 244 254 TYR N N 123.196 0.017 1 575 245 255 LEU H H 9.017 0.000 1 576 245 255 LEU CA C 55.703 0.009 1 577 245 255 LEU N N 120.715 0.011 1 578 246 256 GLY H H 8.592 0.001 1 579 246 256 GLY CA C 44.758 0.005 1 580 246 256 GLY N N 108.614 0.017 1 581 247 257 ASN H H 8.398 0.006 1 582 247 257 ASN CA C 53.796 0.000 1 583 247 257 ASN N N 113.527 0.031 1 584 248 258 ALA H H 7.583 0.003 1 585 248 258 ALA CA C 51.324 0.003 1 586 248 258 ALA N N 119.251 0.003 1 587 249 259 THR H H 9.018 0.003 1 588 249 259 THR CA C 62.278 0.023 1 589 249 259 THR N N 117.804 0.017 1 590 250 260 ALA H H 9.388 0.001 1 591 250 260 ALA CA C 50.707 0.012 1 592 250 260 ALA N N 130.302 0.026 1 593 251 261 ILE H H 9.027 0.003 1 594 251 261 ILE CA C 59.698 0.000 1 595 251 261 ILE N N 121.653 0.013 1 596 253 263 PHE H H 9.903 0.002 1 597 253 263 PHE CA C 55.837 0.010 1 598 253 263 PHE N N 118.741 0.024 1 599 254 264 LEU H H 9.276 0.003 1 600 254 264 LEU CA C 49.966 0.000 1 601 254 264 LEU N N 125.826 0.043 1 602 258 268 GLY CA C 45.603 0.000 1 603 259 269 LYS H H 8.219 0.001 1 604 259 269 LYS CA C 53.782 0.004 1 605 259 269 LYS N N 116.887 0.006 1 606 260 270 LEU H H 8.452 0.001 1 607 260 270 LEU CA C 59.668 0.000 1 608 260 270 LEU N N 123.514 0.020 1 609 261 271 GLN H H 8.314 0.002 1 610 261 271 GLN CA C 59.111 0.000 1 611 261 271 GLN N N 116.248 0.018 1 612 262 272 HIS H H 7.664 0.000 1 613 262 272 HIS CA C 59.830 0.000 1 614 262 272 HIS N N 119.775 0.001 1 615 264 274 GLU CA C 59.300 0.000 1 616 265 275 ASN H H 8.122 0.003 1 617 265 275 ASN CA C 54.586 0.000 1 618 265 275 ASN N N 115.419 0.001 1 619 266 276 GLU H H 7.787 0.001 1 620 266 276 GLU CA C 55.352 0.000 1 621 266 276 GLU N N 116.368 0.018 1 622 268 278 THR H H 6.346 0.002 1 623 268 278 THR CA C 58.798 0.000 1 624 268 278 THR N N 109.326 0.011 1 625 277 287 GLU H H 7.439 0.008 1 626 277 287 GLU CA C 56.158 0.001 1 627 277 287 GLU N N 115.771 0.021 1 628 278 288 ASN H H 7.367 0.001 1 629 278 288 ASN CA C 53.394 0.000 1 630 278 288 ASN N N 118.036 0.051 1 631 279 289 GLU CA C 55.423 0.000 1 632 280 290 ASP H H 7.881 0.001 1 633 280 290 ASP CA C 54.747 0.004 1 634 280 290 ASP N N 122.620 0.012 1 635 281 291 ARG H H 8.352 0.001 1 636 281 291 ARG CA C 54.227 0.000 1 637 281 291 ARG N N 119.797 0.002 1 638 282 292 ARG H H 9.241 0.000 1 639 282 292 ARG CA C 54.204 0.003 1 640 282 292 ARG N N 119.130 0.010 1 641 283 293 SER H H 8.595 0.002 1 642 283 293 SER CA C 57.662 0.000 1 643 283 293 SER N N 117.453 0.007 1 644 284 294 ALA H H 9.135 0.002 1 645 284 294 ALA CA C 52.015 0.004 1 646 284 294 ALA N N 120.527 0.024 1 647 285 295 SER H H 8.518 0.003 1 648 285 295 SER CA C 56.095 0.000 1 649 285 295 SER N N 114.784 0.005 1 650 286 296 LEU H H 8.513 0.002 1 651 286 296 LEU CA C 53.627 0.007 1 652 286 296 LEU N N 129.132 0.021 1 653 287 297 HIS H H 8.362 0.000 1 654 287 297 HIS CA C 53.202 0.005 1 655 287 297 HIS N N 123.968 0.011 1 656 288 298 LEU H H 9.036 0.001 1 657 288 298 LEU CA C 51.097 0.000 1 658 288 298 LEU N N 128.258 0.002 1 659 289 299 PRO CA C 63.658 0.000 1 660 290 300 LYS H H 7.735 0.002 1 661 290 300 LYS CA C 55.774 0.000 1 662 290 300 LYS N N 119.303 0.015 1 663 291 301 LEU H H 7.911 0.002 1 664 291 301 LEU CA C 54.153 0.005 1 665 291 301 LEU N N 120.478 0.007 1 666 292 302 SER H H 8.522 0.001 1 667 292 302 SER CA C 57.345 0.000 1 668 292 302 SER N N 117.889 0.028 1 669 293 303 ILE H H 8.756 0.002 1 670 293 303 ILE CA C 58.940 0.007 1 671 293 303 ILE N N 123.404 0.005 1 672 294 304 THR H H 8.117 0.001 1 673 294 304 THR CA C 59.516 0.013 1 674 294 304 THR N N 116.830 0.021 1 675 295 305 GLY H H 9.357 0.000 1 676 295 305 GLY CA C 44.957 0.001 1 677 295 305 GLY N N 113.753 0.039 1 678 296 306 THR H H 7.793 0.000 1 679 296 306 THR CA C 61.089 0.004 1 680 296 306 THR N N 119.369 0.004 1 681 297 307 TYR H H 9.422 0.002 1 682 297 307 TYR CA C 57.275 0.000 1 683 297 307 TYR N N 121.661 0.009 1 684 301 311 SER CA C 60.153 0.000 1 685 302 312 VAL H H 8.032 0.000 1 686 302 312 VAL CA C 65.052 0.016 1 687 302 312 VAL N N 117.841 0.031 1 688 303 313 LEU H H 8.321 0.003 1 689 303 313 LEU CA C 56.438 0.009 1 690 303 313 LEU N N 115.554 0.006 1 691 304 314 GLY H H 7.442 0.001 1 692 304 314 GLY CA C 47.398 0.005 1 693 304 314 GLY N N 108.614 0.012 1 694 305 315 GLN H H 7.250 0.001 1 695 305 315 GLN CA C 56.937 0.002 1 696 305 315 GLN N N 119.215 0.027 1 697 306 316 LEU H H 7.128 0.002 1 698 306 316 LEU CA C 54.388 0.005 1 699 306 316 LEU N N 118.257 0.001 1 700 307 317 GLY H H 7.439 0.001 1 701 307 317 GLY CA C 44.817 0.002 1 702 307 317 GLY N N 104.370 0.026 1 703 308 318 ILE H H 7.889 0.001 1 704 308 318 ILE CA C 61.418 0.000 1 705 308 318 ILE N N 120.956 0.004 1 706 309 319 THR H H 8.716 0.002 1 707 309 319 THR CA C 62.209 0.000 1 708 309 319 THR N N 115.410 0.013 1 709 311 321 VAL H H 8.476 0.002 1 710 311 321 VAL CA C 63.121 0.000 1 711 311 321 VAL N N 116.033 0.015 1 712 312 322 PHE H H 6.923 0.001 1 713 312 322 PHE CA C 56.787 0.000 1 714 312 322 PHE N N 115.412 0.003 1 715 313 323 SER H H 8.075 0.001 1 716 313 323 SER CA C 57.404 0.000 1 717 313 323 SER N N 116.392 0.011 1 718 316 326 ALA H H 7.564 0.001 1 719 316 326 ALA CA C 53.155 0.003 1 720 316 326 ALA N N 124.350 0.006 1 721 317 327 ASP H H 8.389 0.002 1 722 317 327 ASP CA C 52.665 0.002 1 723 317 327 ASP N N 120.659 0.008 1 724 318 328 LEU H H 8.543 0.000 1 725 318 328 LEU CA C 54.073 0.000 1 726 318 328 LEU N N 127.994 0.004 1 727 319 329 SER H H 8.611 0.005 1 728 319 329 SER CA C 60.579 0.000 1 729 319 329 SER N N 114.701 0.003 1 730 320 330 GLY H H 7.270 0.001 1 731 320 330 GLY CA C 45.131 0.004 1 732 320 330 GLY N N 105.781 0.011 1 733 321 331 VAL H H 7.708 0.001 1 734 321 331 VAL CA C 63.555 0.000 1 735 321 331 VAL N N 118.813 0.018 1 736 322 332 THR H H 7.118 0.003 1 737 322 332 THR CA C 59.825 0.008 1 738 322 332 THR N N 109.396 0.009 1 739 323 333 GLU H H 9.130 0.002 1 740 323 333 GLU CA C 56.282 0.008 1 741 323 333 GLU N N 125.239 0.011 1 742 324 334 GLU H H 8.147 0.003 1 743 324 334 GLU CA C 57.521 0.007 1 744 324 334 GLU N N 117.612 0.010 1 745 325 335 ALA H H 7.371 0.002 1 746 325 335 ALA CA C 49.751 0.000 1 747 325 335 ALA N N 120.606 0.011 1 748 326 336 PRO CA C 62.273 0.000 1 749 327 337 LEU H H 8.163 0.001 1 750 327 337 LEU CA C 54.163 0.010 1 751 327 337 LEU N N 122.448 0.002 1 752 328 338 LYS H H 6.831 0.001 1 753 328 338 LYS CA C 53.797 0.000 1 754 328 338 LYS N N 115.646 0.008 1 755 329 339 LEU H H 8.314 0.001 1 756 329 339 LEU CA C 53.855 0.003 1 757 329 339 LEU N N 120.006 0.025 1 758 330 340 SER H H 8.412 0.002 1 759 330 340 SER CA C 60.831 0.000 1 760 330 340 SER N N 122.388 0.018 1 761 331 341 LYS H H 7.294 0.000 1 762 331 341 LYS CA C 54.032 0.002 1 763 331 341 LYS N N 118.310 0.004 1 764 332 342 ALA H H 9.713 0.001 1 765 332 342 ALA CA C 50.462 0.003 1 766 332 342 ALA N N 129.812 0.010 1 767 333 343 VAL H H 8.578 0.000 1 768 333 343 VAL CA C 59.965 0.002 1 769 333 343 VAL N N 122.266 0.009 1 770 334 344 HIS H H 8.985 0.001 1 771 334 344 HIS CA C 53.345 0.002 1 772 334 344 HIS N N 124.268 0.013 1 773 335 345 LYS H H 8.445 0.001 1 774 335 345 LYS CA C 54.650 0.005 1 775 335 345 LYS N N 126.895 0.012 1 776 336 346 ALA H H 9.032 0.002 1 777 336 346 ALA CA C 49.460 0.006 1 778 336 346 ALA N N 129.335 0.013 1 779 337 347 VAL H H 8.761 0.001 1 780 337 347 VAL CA C 61.328 0.002 1 781 337 347 VAL N N 121.909 0.008 1 782 338 348 LEU H H 8.491 0.001 1 783 338 348 LEU CA C 53.147 0.009 1 784 338 348 LEU N N 127.047 0.015 1 785 339 349 THR H H 7.621 0.002 1 786 339 349 THR CA C 61.165 0.005 1 787 339 349 THR N N 119.433 0.014 1 788 340 350 ILE H H 9.206 0.002 1 789 340 350 ILE CA C 60.790 0.003 1 790 340 350 ILE N N 126.108 0.012 1 791 341 351 ASP H H 8.281 0.002 1 792 341 351 ASP CA C 53.001 0.019 1 793 341 351 ASP N N 126.195 0.021 1 794 342 352 GLU H H 9.776 0.002 1 795 342 352 GLU CA C 59.957 0.000 1 796 342 352 GLU N N 115.942 0.027 1 797 343 353 LYS H H 7.632 0.003 1 798 343 353 LYS CA C 58.122 0.006 1 799 343 353 LYS N N 112.249 0.023 1 800 344 354 GLY H H 8.502 0.002 1 801 344 354 GLY CA C 45.886 0.002 1 802 344 354 GLY N N 107.526 0.011 1 803 345 355 THR H H 8.013 0.003 1 804 345 355 THR CA C 61.970 0.000 1 805 345 355 THR N N 115.856 0.006 1 806 346 356 GLU CA C 56.434 0.000 1 807 347 357 ALA H H 8.316 0.001 1 808 347 357 ALA CA C 51.938 0.008 1 809 347 357 ALA N N 125.367 0.010 1 810 348 358 ALA H H 8.291 0.001 1 811 348 358 ALA CA C 52.499 0.004 1 812 348 358 ALA N N 123.464 0.012 1 813 349 359 GLY H H 8.377 0.005 1 814 349 359 GLY CA C 44.906 0.012 1 815 349 359 GLY N N 107.825 0.034 1 816 350 360 ALA H H 8.080 0.001 1 817 350 360 ALA CA C 52.145 0.003 1 818 350 360 ALA N N 123.379 0.012 1 819 351 361 MET H H 8.194 0.001 1 820 351 361 MET CA C 55.110 0.002 1 821 351 361 MET N N 119.068 0.010 1 822 352 362 PHE H H 8.166 0.001 1 823 352 362 PHE CA C 57.005 0.005 1 824 352 362 PHE N N 121.351 0.007 1 825 353 363 LEU H H 8.103 0.000 1 826 353 363 LEU CA C 54.418 0.001 1 827 353 363 LEU N N 124.425 0.028 1 828 354 364 GLU H H 8.265 0.001 1 829 354 364 GLU CA C 55.478 0.002 1 830 354 364 GLU N N 122.923 0.009 1 831 355 365 ALA H H 8.305 0.002 1 832 355 365 ALA CA C 51.557 0.002 1 833 355 365 ALA N N 125.997 0.013 1 834 356 366 ILE H H 8.152 0.000 1 835 356 366 ILE CA C 57.970 0.000 1 836 356 366 ILE N N 121.683 0.005 1 837 357 367 PRO CA C 58.049 0.000 1 838 358 368 MET H H 8.378 0.002 1 839 358 368 MET CA C 52.947 0.000 1 840 358 368 MET N N 116.729 0.023 1 841 359 369 SER H H 7.217 0.000 1 842 359 369 SER CA C 65.321 0.000 1 843 359 369 SER N N 117.399 0.009 1 844 362 372 PRO CA C 62.146 0.000 1 845 363 373 GLU H H 8.290 0.002 1 846 363 373 GLU CA C 54.686 0.003 1 847 363 373 GLU N N 121.464 0.013 1 848 364 374 VAL H H 8.540 0.002 1 849 364 374 VAL CA C 61.379 0.006 1 850 364 374 VAL N N 127.998 0.016 1 851 365 375 LYS H H 8.264 0.003 1 852 365 375 LYS CA C 54.189 0.010 1 853 365 375 LYS N N 123.438 0.004 1 854 366 376 PHE H H 8.732 0.002 1 855 366 376 PHE CA C 56.162 0.003 1 856 366 376 PHE N N 126.342 0.035 1 857 367 377 ASN H H 7.765 0.003 1 858 367 377 ASN CA C 50.235 0.000 1 859 367 377 ASN N N 118.422 0.033 1 860 368 378 LYS H H 7.442 0.001 1 861 368 378 LYS CA C 52.993 0.000 1 862 368 378 LYS N N 117.640 0.008 1 863 369 379 PRO CA C 64.943 0.000 1 864 370 380 PHE H H 7.797 0.004 1 865 370 380 PHE CA C 54.967 0.000 1 866 370 380 PHE N N 113.868 0.016 1 867 372 382 PHE H H 9.356 0.002 1 868 372 382 PHE CA C 55.992 0.000 1 869 372 382 PHE N N 123.874 0.010 1 870 374 384 MET CA C 54.167 0.000 1 871 375 385 ILE H H 9.392 0.001 1 872 375 385 ILE CA C 56.817 0.007 1 873 375 385 ILE N N 123.806 0.016 1 874 376 386 GLU H H 8.644 0.001 1 875 376 386 GLU CA C 56.518 0.001 1 876 376 386 GLU N N 128.737 0.016 1 877 377 387 GLN H H 8.441 0.001 1 878 377 387 GLN CA C 59.250 0.000 1 879 377 387 GLN N N 126.314 0.013 1 880 378 388 ASN H H 8.983 0.004 1 881 378 388 ASN CA C 56.934 0.000 1 882 378 388 ASN N N 116.591 0.006 1 883 380 390 LYS H H 8.077 0.000 1 884 380 390 LYS CA C 57.217 0.000 1 885 380 390 LYS N N 117.219 0.005 1 886 381 391 SER H H 7.812 0.002 1 887 381 391 SER CA C 57.490 0.000 1 888 381 391 SER N N 112.473 0.001 1 889 383 393 LEU H H 8.469 0.002 1 890 383 393 LEU CA C 56.740 0.000 1 891 383 393 LEU N N 127.938 0.026 1 892 384 394 PHE H H 7.644 0.003 1 893 384 394 PHE CA C 56.156 0.009 1 894 384 394 PHE N N 108.297 0.003 1 895 385 395 MET H H 8.173 0.002 1 896 385 395 MET CA C 54.995 0.000 1 897 385 395 MET N N 119.330 0.002 1 898 386 396 GLY H H 8.490 0.001 1 899 386 396 GLY CA C 45.796 0.003 1 900 386 396 GLY N N 108.151 0.004 1 901 387 397 LYS H H 9.587 0.001 1 902 387 397 LYS CA C 55.479 0.011 1 903 387 397 LYS N N 120.207 0.006 1 904 388 398 VAL H H 8.436 0.001 1 905 388 398 VAL CA C 60.668 0.007 1 906 388 398 VAL N N 126.616 0.021 1 907 389 399 VAL H H 8.592 0.001 1 908 389 399 VAL CA C 62.237 0.000 1 909 389 399 VAL N N 122.711 0.018 1 910 390 400 ASN H H 8.099 0.000 1 911 390 400 ASN CA C 49.061 0.000 1 912 390 400 ASN N N 108.673 0.015 1 913 392 402 THR H H 7.772 0.001 1 914 392 402 THR CA C 61.103 0.015 1 915 392 402 THR N N 106.986 0.011 1 916 393 403 GLN H H 7.309 0.002 1 917 393 403 GLN CA C 55.966 0.005 1 918 393 403 GLN N N 123.234 0.007 1 919 394 404 LYS H H 8.224 0.002 1 920 394 404 LYS CA C 57.446 0.000 1 921 394 404 LYS N N 130.759 0.008 1 stop_ save_